2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide

C13H12ClN3O — CID 129283620

IUPAC2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NC1CC1)c1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C13H12ClN3O/c14-12-4-1-8(9-6-15-16-7-9)5-11(12)13(18)17-10-2-3-10/h1,4-7,10H,2-3H2,(H,15,16)(H,17,18)
InChIKeyQUSVMOYFRLIWOR-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide

2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide (PubChem CID 129283620) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
PubChem CID129283620
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
SMILESO=C(NC1CC1)c1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C13H12ClN3O/c14-12-4-1-8(9-6-15-16-7-9)5-11(12)13(18)17-10-2-3-10/h1,4-7,10H,2-3H2,(H,15,16)(H,17,18)
InChIKeyQUSVMOYFRLIWOR-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475
2-methoxy-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]-4-(1H-pyrazol-4-yl)benzamide
CID 134286776
N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
CID 58082313
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
2-chloro-N-cyclopropyl-5-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67035546
2,5-dichloro-N-[4-[[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]methyl]cyclohexyl]benzamide
CID 57465887
2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde
CID 153387709
4-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 130466741
N-(3-acetamidocyclobutyl)-4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 155782016
[[6-chloro-5-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-1H-benzimidazol-2-yl]-sulfanylmethyl]phosphonic acid
CID 87382868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide (CID 129283620) is 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide is O=C(NC1CC1)c1cc(-c2cn[nH]c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide?
The InChIKey is QUSVMOYFRLIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-12-4-1-8(9-6-15-16-7-9)5-11(12)13(18)17-10-2-3-10/h1,4-7,10H,2-3H2,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide?
2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide has a molecular weight of 261.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 129283620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).