N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

C16H19ClN4O2 — CID 78861611

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(N)=O
InChIInChI=1S/C16H19ClN4O2/c1-3-9(2)14(15(18)22)19-16(23)13-8-12(20-21-13)10-6-4-5-7-11(10)17/h4-9,14H,3H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyGFDNACVMMDGZGF-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.36
Rot. Bonds6

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 78861611) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID78861611
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(N)=O
InChIInChI=1S/C16H19ClN4O2/c1-3-9(2)14(15(18)22)19-16(23)13-8-12(20-21-13)10-6-4-5-7-11(10)17/h4-9,14H,3H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyGFDNACVMMDGZGF-UHFFFAOYSA-N
XLogP2.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119211443
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(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
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CID 56796065
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 110001692
3-(2-chlorophenyl)-N-[1-(furan-2-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 47027176
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119582352
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 19510016
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 78861611) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is CCC(C)C(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GFDNACVMMDGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-3-9(2)14(15(18)22)19-16(23)13-8-12(20-21-13)10-6-4-5-7-11(10)17/h4-9,14H,3H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78861611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).