2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide

C18H17ClN4O — CID 110121771

IUPAC2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
SMILESNCc1cnn(-c2ccccc2C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClN4O/c19-15-5-3-4-13(8-15)10-21-18(24)16-6-1-2-7-17(16)23-12-14(9-20)11-22-23/h1-8,11-12H,9-10,20H2,(H,21,24)
InChIKeyXCTKYIJEOFVIQQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.91
Rot. Bonds5

About 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide

2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide (PubChem CID 110121771) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
PubChem CID110121771
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
SMILESNCc1cnn(-c2ccccc2C(=O)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H17ClN4O/c19-15-5-3-4-13(8-15)10-21-18(24)16-6-1-2-7-17(16)23-12-14(9-20)11-22-23/h1-8,11-12H,9-10,20H2,(H,21,24)
InChIKeyXCTKYIJEOFVIQQ-UHFFFAOYSA-N
XLogP2.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121689
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
CID 55628846
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 110121784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide?
The IUPAC name of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide (CID 110121771) is 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide?
The canonical SMILES for 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide is NCc1cnn(-c2ccccc2C(=O)NCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide?
The InChIKey is XCTKYIJEOFVIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-15-5-3-4-13(8-15)10-21-18(24)16-6-1-2-7-17(16)23-12-14(9-20)11-22-23/h1-8,11-12H,9-10,20H2,(H,21,24).
What are the key properties of 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide?
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide has a molecular weight of 340.81 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 110121771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).