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

C76H96ClF8N15O2 — CID 158716302

IUPACN-[[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
SMILESCCCN(C)Cc1[nH]ncc1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(C2CC2)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(F)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1F
InChIInChI=1S/C17H23N3.C15H18F3N3O.C15H18F3N3.C15H20FN3O.C14H17ClFN3/c1-3-10-20(2)12-17-16(11-18-19-17)15-8-6-14(7-9-15)13-4-5-13;1-3-8-21(2)10-14-13(9-19-20-14)11-4-6-12(7-5-11)22-15(16,17)18;1-3-8-21(2)10-14-13(9-19-20-14)11-4-6-12(7-5-11)15(16,17)18;1-4-7-19(2)10-11-9-17-18-15(11)13-6-5-12(20-3)8-14(13)16;1-3-6-19(2)9-10-8-17-18-14(10)12-7-11(16)4-5-13(12)15/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9H,3,8,10H2,1-2H3,(H,19,20);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyIJIUKUPSFTWTIZ-UHFFFAOYSA-N
MW1439.14 g/mol
LogP18.33
Rot. Bonds28

About 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

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 (PubChem CID 158716302) has the molecular formula C76H96ClF8N15O2 and a molecular weight of 1439.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID158716302
Molecular FormulaC76H96ClF8N15O2
Molecular Weight1439.14 g/mol
Exact Mass1437.74
IUPAC NameN-[[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
SMILESCCCN(C)Cc1[nH]ncc1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(C2CC2)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(F)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1F
InChIInChI=1S/C17H23N3.C15H18F3N3O.C15H18F3N3.C15H20FN3O.C14H17ClFN3/c1-3-10-20(2)12-17-16(11-18-19-17)15-8-6-14(7-9-15)13-4-5-13;1-3-8-21(2)10-14-13(9-19-20-14)11-4-6-12(7-5-11)22-15(16,17)18;1-3-8-21(2)10-14-13(9-19-20-14)11-4-6-12(7-5-11)15(16,17)18;1-4-7-19(2)10-11-9-17-18-15(11)13-6-5-12(20-3)8-14(13)16;1-3-6-19(2)9-10-8-17-18-14(10)12-7-11(16)4-5-13(12)15/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9H,3,8,10H2,1-2H3,(H,19,20);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyIJIUKUPSFTWTIZ-UHFFFAOYSA-N
XLogP18.33
TPSA178.06 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.14
LogP ≤ 518.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(C)Cc1[nH]ncc1-c1ccc(C(F)(F)F)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(C2CC2)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(F)(F)F)cc1.CCCN(C)Cc1cn[nH]c1-c1cc(F)ccc1Cl.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1F.
What is the InChIKey of 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?
The InChIKey is IJIUKUPSFTWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.C15H18F3N3O.C15H18F3N3.C15H20FN3O.C14H17ClFN3/c1-3-10-20(2)12-17-16(11-18-19-17)15-8-6-14(7-9-15)13-4-5-13;1-3-8-21(2)10-14-13(9-19-20-14)11-4-6-12(7-5-11)22-15(16,17)18;1-3-8-21(2)10-14-13(9-19-20-14)11-4-6-12(7-5-11)15(16,17)18;1-4-7-19(2)10-11-9-17-18-15(11)13-6-5-12(20-3)8-14(13)16;1-3-6-19(2)9-10-8-17-18-14(10)12-7-11(16)4-5-13(12)15/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);4-7,9H,3,8,10H2,1-2H3,(H,19,20);4-7,9H,3,8,10H2,1-2H3,(H,19,20);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of 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?
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 has a molecular weight of 1439.14 g/mol, XLogP of 18.33, 28 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158716302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).