4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C13H13ClN4O — CID 62077128

IUPAC4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C13H13ClN4O/c14-8-3-1-2-4-9(8)16-13(19)12-10(15)11(17-18-12)7-5-6-7/h1-4,7H,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyXRAVIWSXWQXWRJ-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.78
Rot. Bonds3

About 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 62077128) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID62077128
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2Cl)n[nH]c1C1CC1
InChIInChI=1S/C13H13ClN4O/c14-8-3-1-2-4-9(8)16-13(19)12-10(15)11(17-18-12)7-5-6-7/h1-4,7H,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyXRAVIWSXWQXWRJ-UHFFFAOYSA-N
XLogP2.78
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077620
4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 65467132
4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62075479
4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077592
4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077623
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
4-amino-5-cyclopropyl-N-[4-(dimethylamino)phenyl]-1H-pyrazole-3-carboxamide
CID 62078614
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110420482
4-amino-5-cyclopropyl-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62075964
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62204451
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 62077128) is 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is Nc1c(C(=O)Nc2ccccc2Cl)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is XRAVIWSXWQXWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-8-3-1-2-4-9(8)16-13(19)12-10(15)11(17-18-12)7-5-6-7/h1-4,7H,5-6,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).