4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide

C7H8ClN3O — CID 19479222

IUPAC4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1[nH]ncc1Cl
InChIInChI=1S/C7H8ClN3O/c8-5-3-9-11-6(5)7(12)10-4-1-2-4/h3-4H,1-2H2,(H,9,11)(H,10,12)
InChIKeyUBWDDLQBTYZNHK-UHFFFAOYSA-N
MW185.61 g/mol
LogP0.96
Rot. Bonds2

About 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide

4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide (PubChem CID 19479222) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide
PubChem CID19479222
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1[nH]ncc1Cl
InChIInChI=1S/C7H8ClN3O/c8-5-3-9-11-6(5)7(12)10-4-1-2-4/h3-4H,1-2H2,(H,9,11)(H,10,12)
InChIKeyUBWDDLQBTYZNHK-UHFFFAOYSA-N
XLogP0.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
4-Chloropyrazol-3-yl 1,4-thiazaperhydroin-4-yl ketone
CID 19577724
4-Chloro-1H-pyrazole-3-carboxamide
CID 46318315
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
CID 51698964
4-amino-N-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63107017
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
4-chloro-N-[(1-ethylcyclobutyl)methyl]-1H-pyrazole-5-carboxamide
CID 136573400
N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 130614280
N-(1-fluoropropan-2-yl)-4-iodo-1H-pyrazole-5-carboxamide
CID 130622076
4-chloro-N-[(2,2-difluorocyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 145933034
4-chloro-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]-1H-pyrazole-3-carboxamide
CID 56740040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide (CID 19479222) is 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide is O=C(NC1CC1)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The InChIKey is UBWDDLQBTYZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O/c8-5-3-9-11-6(5)7(12)10-4-1-2-4/h3-4H,1-2H2,(H,9,11)(H,10,12).
What are the key properties of 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide?
4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide has a molecular weight of 185.61 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).