N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide

C19H17ClN4O2 — CID 51315406

IUPACN-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)C(NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-14(16)11-24-12-15(10-22-24)19(26)23-17(18(21)25)13-6-2-1-3-7-13/h1-10,12,17H,11H2,(H2,21,25)(H,23,26)
InChIKeyIXCPZWIQCIVTOJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.54
Rot. Bonds6

About N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 51315406) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID51315406
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)C(NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-14(16)11-24-12-15(10-22-24)19(26)23-17(18(21)25)13-6-2-1-3-7-13/h1-10,12,17H,11H2,(H2,21,25)(H,23,26)
InChIKeyIXCPZWIQCIVTOJ-UHFFFAOYSA-N
XLogP2.54
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 51647994
methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 41143878
1-[(2-chlorophenyl)methyl]-N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 25440796
1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 38759533
2-[2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242645
2-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253710
N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide
CID 56814692
1-[(2-chlorophenyl)methyl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 55893248
1-[(2-chlorophenyl)methyl]-N'-(cyclopropanecarbonyl)pyrazole-4-carbohydrazide
CID 25393908
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide (CID 51315406) is N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide is NC(=O)C(NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is IXCPZWIQCIVTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-16-9-5-4-8-14(16)11-24-12-15(10-22-24)19(26)23-17(18(21)25)13-6-2-1-3-7-13/h1-10,12,17H,11H2,(H2,21,25)(H,23,26).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51315406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).