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

C14H15N3O2 — CID 647673

IUPACN-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C14H15N3O2/c1-3-13(18)15-12-6-4-11(5-7-12)14(19)17-9-8-10(2)16-17/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyNNAFYLNFERFHRI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.23
Rot. Bonds3

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

N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide (PubChem CID 647673) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide
PubChem CID647673
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C14H15N3O2/c1-3-13(18)15-12-6-4-11(5-7-12)14(19)17-9-8-10(2)16-17/h4-9H,3H2,1-2H3,(H,15,18)
InChIKeyNNAFYLNFERFHRI-UHFFFAOYSA-N
XLogP2.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
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-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
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-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874841
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723779
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide (CID 647673) is N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)n2ccc(C)n2)cc1.
What is the InChIKey of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide?
The InChIKey is NNAFYLNFERFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-13(18)15-12-6-4-11(5-7-12)14(19)17-9-8-10(2)16-17/h4-9H,3H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide?
N-[4-(3-methylpyrazole-1-carbonyl)phenyl]propanamide has a molecular weight of 257.29 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]propanamide is sourced from PubChem (CID 647673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).