N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H17N3OS — CID 55738648

IUPACN-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-12(13-6-3-2-4-7-13)11-18-17(21)15-10-14(19-20-15)16-8-5-9-22-16/h2-10,12H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyNRALQRUEYIXVIN-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.67
Rot. Bonds5

About N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55738648) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55738648
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-12(13-6-3-2-4-7-13)11-18-17(21)15-10-14(19-20-15)16-8-5-9-22-16/h2-10,12H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyNRALQRUEYIXVIN-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2-methyl-3-piperidin-1-ylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55982510
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4024773
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742
N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119605510
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55749353
N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 109388243
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55738648) is N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC(CNC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is NRALQRUEYIXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12(13-6-3-2-4-7-13)11-18-17(21)15-10-14(19-20-15)16-8-5-9-22-16/h2-10,12H,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55738648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).