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

C18H15ClN4O2 — CID 52513898

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C18H15ClN4O2/c19-14-8-4-5-9-15(14)23-11-13(10-21-23)18(25)22-16(17(20)24)12-6-2-1-3-7-12/h1-11,16H,(H2,20,24)(H,22,25)/t16-/m1/s1
InChIKeyYPKJEAOEEXOCNK-MRXNPFEDSA-N
MW354.80 g/mol
LogP2.48
Rot. Bonds5

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

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 52513898) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
PubChem CID52513898
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C18H15ClN4O2/c19-14-8-4-5-9-15(14)23-11-13(10-21-23)18(25)22-16(17(20)24)12-6-2-1-3-7-12/h1-11,16H,(H2,20,24)(H,22,25)/t16-/m1/s1
InChIKeyYPKJEAOEEXOCNK-MRXNPFEDSA-N
XLogP2.48
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010
N-(2-amino-2-oxo-1-phenylethyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 51315406
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 94813569
N-(2-amino-2-oxo-1-phenylethyl)-1-tert-butylpyrazole-4-carboxamide
CID 56814692
(2S)-2-[[1-(2-chlorophenyl)pyrazol-3-yl]amino]-2-phenylacetamide
CID 124620768
1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 49163632
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 49162463
1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
CID 49156531
1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide
CID 86967160
1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 49156662
1-(2-chlorophenyl)-N-(2-methoxy-3-pyridinyl)pyrazole-4-carboxamide
CID 49161240
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide (CID 52513898) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide is NC(=O)[C@H](NC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is YPKJEAOEEXOCNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-14-8-4-5-9-15(14)23-11-13(10-21-23)18(25)22-16(17(20)24)12-6-2-1-3-7-12/h1-11,16H,(H2,20,24)(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 52513898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).