N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine

C91H121Cl3F4N18O2 — CID 157410721

IUPACN-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(C)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1OC
InChIInChI=1S/C16H23N3O2.C16H23N3.2C15H20ClN3.C15H18F3N3.C14H17ClFN3/c1-5-8-19(2)11-12-10-17-18-16(12)14-7-6-13(20-3)9-15(14)21-4;1-5-8-19(4)11-14-10-17-18-16(14)15-7-6-12(2)9-13(15)3;1-4-7-19(3)10-12-9-17-18-15(12)13-8-11(2)5-6-14(13)16;1-4-7-19(3)10-12-9-17-18-15(12)13-6-5-11(2)8-14(13)16;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)15(16,17)18;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(16)7-13(12)15/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);2*5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyBOGIGAKZWSWEBJ-UHFFFAOYSA-N
MW1681.44 g/mol
LogP21.88
Rot. Bonds32

About N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine

N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 157410721) has the molecular formula C91H121Cl3F4N18O2 and a molecular weight of 1681.44 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID157410721
Molecular FormulaC91H121Cl3F4N18O2
Molecular Weight1681.44 g/mol
Exact Mass1678.89
IUPAC NameN-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(C)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1OC
InChIInChI=1S/C16H23N3O2.C16H23N3.2C15H20ClN3.C15H18F3N3.C14H17ClFN3/c1-5-8-19(2)11-12-10-17-18-16(12)14-7-6-13(20-3)9-15(14)21-4;1-5-8-19(4)11-14-10-17-18-16(14)15-7-6-12(2)9-13(15)3;1-4-7-19(3)10-12-9-17-18-15(12)13-8-11(2)5-6-14(13)16;1-4-7-19(3)10-12-9-17-18-15(12)13-6-5-11(2)8-14(13)16;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)15(16,17)18;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(16)7-13(12)15/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);2*5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyBOGIGAKZWSWEBJ-UHFFFAOYSA-N
XLogP21.88
TPSA209.98 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001681.44
LogP ≤ 521.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 157243717
N-[[5-[2-chloro-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[3-(1,1-difluoroethyl)-2-methyl-5-(2-methylpropoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-ethoxy-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-fluoro-3-(3-methylbutoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158547568
N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol
CID 158549878
N-[[5-(2-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(oxan-4-yl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 158628787
N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)-4H-pyrazol-1-ium-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 158704820
N-[[5-(2-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(4-cyclopropylphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine;N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 158716302
N-[[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxy-2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
CID 158780989
N-[[4-[2-chloro-3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[5-[2-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;methane;N-methyl-N-[[4-[2-methyl-3-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine;N-methyl-N-[[4-[2-(2-methylpropyl)-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine
CID 159503521
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 159542731
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 159899381
N-[[5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile;4-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 159942457
N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;2-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 160321003

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 157410721) is N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCN(C)Cc1cn[nH]c1-c1cc(C)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1C.CCCN(C)Cc1cn[nH]c1-c1ccc(C)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1OC.
What is the InChIKey of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is BOGIGAKZWSWEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.C16H23N3.2C15H20ClN3.C15H18F3N3.C14H17ClFN3/c1-5-8-19(2)11-12-10-17-18-16(12)14-7-6-13(20-3)9-15(14)21-4;1-5-8-19(4)11-14-10-17-18-16(14)15-7-6-12(2)9-13(15)3;1-4-7-19(3)10-12-9-17-18-15(12)13-8-11(2)5-6-14(13)16;1-4-7-19(3)10-12-9-17-18-15(12)13-6-5-11(2)8-14(13)16;1-3-8-21(2)10-12-9-19-20-14(12)11-4-6-13(7-5-11)15(16,17)18;1-3-6-19(2)9-10-8-17-18-14(10)12-5-4-11(16)7-13(12)15/h6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);6-7,9-10H,5,8,11H2,1-4H3,(H,17,18);2*5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 1681.44 g/mol, XLogP of 21.88, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chloro-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 157410721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).