2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide

C12H10ClN5O — CID 55036060

IUPAC2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2ccc(N)n2)cc1Cl
InChIInChI=1S/C12H10ClN5O/c13-10-5-9(2-1-8(10)6-14)16-12(19)7-18-4-3-11(15)17-18/h1-5H,7H2,(H2,15,17)(H,16,19)
InChIKeyDWPICUVQUKVXMU-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.63
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 55036060) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID55036060
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2ccc(N)n2)cc1Cl
InChIInChI=1S/C12H10ClN5O/c13-10-5-9(2-1-8(10)6-14)16-12(19)7-18-4-3-11(15)17-18/h1-5H,7H2,(H2,15,17)(H,16,19)
InChIKeyDWPICUVQUKVXMU-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316767
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 3912719
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634919
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62102860
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 55024845

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (CID 55036060) is 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)Cn2ccc(N)n2)cc1Cl.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is DWPICUVQUKVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-10-5-9(2-1-8(10)6-14)16-12(19)7-18-4-3-11(15)17-18/h1-5H,7H2,(H2,15,17)(H,16,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 275.70 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 55036060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).