N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol

C90H115Cl4F5N18O — CID 159705851

IUPACN-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(F)cc(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(C)O)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C2CC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C17H23N3.C16H23N3O.C15H17ClF3N3.2C14H17ClFN3.C14H18ClN3/c1-3-10-20(2)12-16-11-18-19-17(16)15-8-6-14(7-9-15)13-4-5-13;1-4-9-19(3)11-15-10-17-18-16(15)14-7-5-13(6-8-14)12(2)20;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-3-6-19(2)9-11-8-17-18-14(11)10-4-5-12(15)13(16)7-10;1-3-4-19(2)9-11-8-17-18-14(11)10-5-12(15)7-13(16)6-10;1-3-8-18(2)10-11-9-16-17-14(11)12-6-4-5-7-13(12)15/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);5-8,10,12,20H,4,9,11H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18);5-8H,3-4,9H2,1-2H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyMYETZPGPPKHSBB-UHFFFAOYSA-N
MW1701.84 g/mol
LogP22.35
Rot. Bonds32

About N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol

N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol (PubChem CID 159705851) has the molecular formula C90H115Cl4F5N18O and a molecular weight of 1701.84 g/mol. Its IUPAC name is N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound NameN-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol
PubChem CID159705851
Molecular FormulaC90H115Cl4F5N18O
Molecular Weight1701.84 g/mol
Exact Mass1698.82
IUPAC NameN-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol
SMILESCCCN(C)Cc1cn[nH]c1-c1cc(F)cc(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(C)O)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C2CC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccccc1Cl
InChIInChI=1S/C17H23N3.C16H23N3O.C15H17ClF3N3.2C14H17ClFN3.C14H18ClN3/c1-3-10-20(2)12-16-11-18-19-17(16)15-8-6-14(7-9-15)13-4-5-13;1-4-9-19(3)11-15-10-17-18-16(15)14-7-5-13(6-8-14)12(2)20;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-3-6-19(2)9-11-8-17-18-14(11)10-4-5-12(15)13(16)7-10;1-3-4-19(2)9-11-8-17-18-14(11)10-5-12(15)7-13(16)6-10;1-3-8-18(2)10-11-9-16-17-14(11)12-6-4-5-7-13(12)15/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);5-8,10,12,20H,4,9,11H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18);5-8H,3-4,9H2,1-2H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyMYETZPGPPKHSBB-UHFFFAOYSA-N
XLogP22.35
TPSA211.75 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001701.84
LogP ≤ 522.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol with MolForge

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Related Compounds

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-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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 160427130

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
The IUPAC name of N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol (CID 159705851) is N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol is CCCN(C)Cc1cn[nH]c1-c1cc(F)cc(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(C)O)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C2CC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccccc1Cl.
What is the InChIKey of N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
The InChIKey is MYETZPGPPKHSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.C16H23N3O.C15H17ClF3N3.2C14H17ClFN3.C14H18ClN3/c1-3-10-20(2)12-16-11-18-19-17(16)15-8-6-14(7-9-15)13-4-5-13;1-4-9-19(3)11-15-10-17-18-16(15)14-7-5-13(6-8-14)12(2)20;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-3-6-19(2)9-11-8-17-18-14(11)10-4-5-12(15)13(16)7-10;1-3-4-19(2)9-11-8-17-18-14(11)10-5-12(15)7-13(16)6-10;1-3-8-18(2)10-11-9-16-17-14(11)12-6-4-5-7-13(12)15/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);5-8,10,12,20H,4,9,11H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18);5-8H,3-4,9H2,1-2H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol has a molecular weight of 1701.84 g/mol, XLogP of 22.35, 32 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-chlorophenyl)-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-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 159705851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).