2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide

C14H16ClN5O2 — CID 47068722

IUPAC2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccn(CC(N)=O)n2)c(Cl)c1
InChIInChI=1S/C14H16ClN5O2/c1-9-2-3-11(10(15)6-9)18-14(22)7-17-13-4-5-20(19-13)8-12(16)21/h2-6H,7-8H2,1H3,(H2,16,21)(H,17,19)(H,18,22)
InChIKeyYOQLZODJVDCTLQ-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.38
Rot. Bonds6

About 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide

2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 47068722) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID47068722
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccn(CC(N)=O)n2)c(Cl)c1
InChIInChI=1S/C14H16ClN5O2/c1-9-2-3-11(10(15)6-9)18-14(22)7-17-13-4-5-20(19-13)8-12(16)21/h2-6H,7-8H2,1H3,(H2,16,21)(H,17,19)(H,18,22)
InChIKeyYOQLZODJVDCTLQ-UHFFFAOYSA-N
XLogP1.38
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-(3-chloro-4-methylphenyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1249600
2-[[1-(2-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-N-(4-methylphenyl)propanamide
CID 136217454
N-(2-chloro-4-methylphenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 16012178
N-(2-chloro-4-methylphenyl)-2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026506
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 17512396
2-[4-[1-(3-Chlorophenyl)propan-2-ylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53503559
N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide
CID 71918466
N-[4-[[(1-benzylpyrazol-3-yl)amino]methyl]phenyl]acetamide
CID 71918486
1-[1-(2-Chlorophenyl)-2-oxopiperidin-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 71992448
US10781181, Example 3
CID 132017352
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 4784898

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide (CID 47068722) is 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2ccn(CC(N)=O)n2)c(Cl)c1.
What is the InChIKey of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is YOQLZODJVDCTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c1-9-2-3-11(10(15)6-9)18-14(22)7-17-13-4-5-20(19-13)8-12(16)21/h2-6H,7-8H2,1H3,(H2,16,21)(H,17,19)(H,18,22).
What are the key properties of 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide?
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 321.77 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 47068722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).