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

C20H21ClN4O — CID 110121689

IUPACN-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
SMILESCN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C20H21ClN4O/c1-24(2)13-15-11-23-25(14-15)19-10-6-4-8-17(19)20(26)22-12-16-7-3-5-9-18(16)21/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyRNFHCRPMTGWJJC-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.52
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide (PubChem CID 110121689) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
PubChem CID110121689
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
SMILESCN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C20H21ClN4O/c1-24(2)13-15-11-23-25(14-15)19-10-6-4-8-17(19)20(26)22-12-16-7-3-5-9-18(16)21/h3-11,14H,12-13H2,1-2H3,(H,22,26)
InChIKeyRNFHCRPMTGWJJC-UHFFFAOYSA-N
XLogP3.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121819
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
CID 110121736
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 110121793
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
CID 110121807
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
CID 110121771
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 110121728
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
N-[(2-chlorophenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7260694
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 110121784
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide (CID 110121689) is N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide is CN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
The InChIKey is RNFHCRPMTGWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24(2)13-15-11-23-25(14-15)19-10-6-4-8-17(19)20(26)22-12-16-7-3-5-9-18(16)21/h3-11,14H,12-13H2,1-2H3,(H,22,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide?
N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide has a molecular weight of 368.87 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide is sourced from PubChem (CID 110121689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).