N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide

C13H13N3O — CID 166188841

IUPACN-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)C1CC1
InChIInChI=1S/C13H13N3O/c17-13(9-4-5-9)16-12-3-1-2-10(6-12)11-7-14-15-8-11/h1-3,6-9H,4-5H2,(H,14,15)(H,16,17)
InChIKeyLUCAWVSGCYHHGJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.43
Rot. Bonds3

About N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide

N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide (PubChem CID 166188841) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
PubChem CID166188841
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)C1CC1
InChIInChI=1S/C13H13N3O/c17-13(9-4-5-9)16-12-3-1-2-10(6-12)11-7-14-15-8-11/h1-3,6-9H,4-5H2,(H,14,15)(H,16,17)
InChIKeyLUCAWVSGCYHHGJ-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(sulfinatoamino)phenyl]-1H-pyrazole
CID 167366018
1,2-bis(3-chlorophenyl)-3-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]pyrazolidine-4-carboxamide
CID 177381794
N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58310850
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
N-[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 135894059
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 166298901
1-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-phenylpiperidine-4-carboxamide
CID 176618501

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide (CID 166188841) is N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(-c2cn[nH]c2)c1)C1CC1.
What is the InChIKey of N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is LUCAWVSGCYHHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(9-4-5-9)16-12-3-1-2-10(6-12)11-7-14-15-8-11/h1-3,6-9H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide?
N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 166188841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).