3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide

C14H16N4O2 — CID 146090733

IUPAC3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide
SMILESCC(CC(=O)Nc1cc(C(N)=O)[nH]n1)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-9(10-5-3-2-4-6-10)7-13(19)16-12-8-11(14(15)20)17-18-12/h2-6,8-9H,7H2,1H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyZVSRCXJNKGHMMJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.64
Rot. Bonds5

About 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide

3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide (PubChem CID 146090733) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide
PubChem CID146090733
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide
SMILESCC(CC(=O)Nc1cc(C(N)=O)[nH]n1)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-9(10-5-3-2-4-6-10)7-13(19)16-12-8-11(14(15)20)17-18-12/h2-6,8-9H,7H2,1H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyZVSRCXJNKGHMMJ-UHFFFAOYSA-N
XLogP1.64
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
3-amino-3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104618213
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
CID 798501
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
CID 16592228
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 1122478

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide (CID 146090733) is 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide is CC(CC(=O)Nc1cc(C(N)=O)[nH]n1)c1ccccc1.
What is the InChIKey of 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is ZVSRCXJNKGHMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(10-5-3-2-4-6-10)7-13(19)16-12-8-11(14(15)20)17-18-12/h2-6,8-9H,7H2,1H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide?
3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146090733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).