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

C12H10ClN5O — CID 43445480

IUPAC2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(N)cn2)cc1Cl
InChIInChI=1S/C12H10ClN5O/c13-11-3-10(2-1-8(11)4-14)17-12(19)7-18-6-9(15)5-16-18/h1-3,5-6H,7,15H2,(H,17,19)
InChIKeyVUMKRPPORMOARE-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.63
Rot. Bonds3

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

2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 43445480) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID43445480
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2cc(N)cn2)cc1Cl
InChIInChI=1S/C12H10ClN5O/c13-11-3-10(2-1-8(11)4-14)17-12(19)7-18-6-9(15)5-16-18/h1-3,5-6H,7,15H2,(H,17,19)
InChIKeyVUMKRPPORMOARE-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-chloro-4-cyanophenyl)acetamide
CID 55036060
4-[2-(4-aminopyrazol-1-yl)ethylamino]-2-chlorobenzonitrile
CID 115320073
N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 3912719
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780082
2-(4-aminopyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 43445342
2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
CID 114258348
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502522
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
2-(4-aminopyrazol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 61117825
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (CID 43445480) is 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)Cn2cc(N)cn2)cc1Cl.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is VUMKRPPORMOARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c13-11-3-10(2-1-8(11)4-14)17-12(19)7-18-6-9(15)5-16-18/h1-3,5-6H,7,15H2,(H,17,19).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
2-(4-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-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 43445480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).