N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide

C15H15N3O2 — CID 833522

IUPACN-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCc1ccn(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C15H15N3O2/c1-10-8-9-18(17-10)15(20)12-4-6-13(7-5-12)16-14(19)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,16,19)
InChIKeyPJCNNNQDCAMAOU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.23
Rot. Bonds3

About N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide

N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 833522) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID833522
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCc1ccn(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C15H15N3O2/c1-10-8-9-18(17-10)15(20)12-4-6-13(7-5-12)16-14(19)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,16,19)
InChIKeyPJCNNNQDCAMAOU-UHFFFAOYSA-N
XLogP2.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
CID 842455
N-(4-acetylphenyl)-1H-pyrazole-3-carboxamide
CID 3241848
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-pyrazol-1-ylbenzamide
CID 56675668

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide (CID 833522) is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide is Cc1ccn(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1.
What is the InChIKey of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is PJCNNNQDCAMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-8-9-18(17-10)15(20)12-4-6-13(7-5-12)16-14(19)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,16,19).
What are the key properties of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide?
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 833522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).