2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide

C12H10ClN5O — CID 110459440

IUPAC2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
SMILESN#Cc1cnn(-c2cccc(Cl)c2)c1NC(=O)CN
InChIInChI=1S/C12H10ClN5O/c13-9-2-1-3-10(4-9)18-12(17-11(19)6-15)8(5-14)7-16-18/h1-4,7H,6,15H2,(H,17,19)
InChIKeyWMAXUNUZTAPUTP-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.29
Rot. Bonds3

About 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide

2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide (PubChem CID 110459440) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
PubChem CID110459440
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide
SMILESN#Cc1cnn(-c2cccc(Cl)c2)c1NC(=O)CN
InChIInChI=1S/C12H10ClN5O/c13-9-2-1-3-10(4-9)18-12(17-11(19)6-15)8(5-14)7-16-18/h1-4,7H,6,15H2,(H,17,19)
InChIKeyWMAXUNUZTAPUTP-UHFFFAOYSA-N
XLogP1.29
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
5-(1,3-benzodioxol-5-ylamino)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 110452772
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 47083042
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-cyano-1-phenylpyrazol-5-yl)acetamide
CID 19523494
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519557
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 47811081
1-(3-chlorophenyl)-N-(3-cyano-5-ethylthiophen-2-yl)-5-methylpyrazole-4-carboxamide
CID 55906603
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]acetamide
CID 86860813
N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135527995
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530657
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
CID 19281155

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide (CID 110459440) is 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide is N#Cc1cnn(-c2cccc(Cl)c2)c1NC(=O)CN.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide?
The InChIKey is WMAXUNUZTAPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-9-2-1-3-10(4-9)18-12(17-11(19)6-15)8(5-14)7-16-18/h1-4,7H,6,15H2,(H,17,19).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide?
2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide has a molecular weight of 275.70 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)-4-cyanopyrazol-5-yl]acetamide is sourced from PubChem (CID 110459440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).