N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide

C16H19N3O — CID 53033035

IUPACN-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NC2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-19-11-13(7-10-15(20)17-14-8-9-14)16(18-19)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,17,20)
InChIKeyPNFRXIZUDKFOEK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.30
Rot. Bonds5

About N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide

N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide (PubChem CID 53033035) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
PubChem CID53033035
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NC2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-19-11-13(7-10-15(20)17-14-8-9-14)16(18-19)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,17,20)
InChIKeyPNFRXIZUDKFOEK-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 43394595
4-[(1-methyl-3-phenylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 122009577
N-cyclohexyl-2-[[4-methyl-5-(1-methyl-3-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 53127960
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-cyclopropyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]acetamide
CID 63641722
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
N-cyclopropyl-2-phenylacetamide
CID 5175687

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide (CID 53033035) is N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NC2CC2)c(-c2ccccc2)n1.
What is the InChIKey of N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
The InChIKey is PNFRXIZUDKFOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19-11-13(7-10-15(20)17-14-8-9-14)16(18-19)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide?
N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 53033035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).