N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide

C16H21N3O — CID 61259747

IUPACN-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)C(NC(=O)c1cn[nH]c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-12(4-2)15(13-8-6-5-7-9-13)19-16(20)14-10-17-18-11-14/h5-12,15H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWSZZPYWIBVQNOG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.32
Rot. Bonds6

About N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide

N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide (PubChem CID 61259747) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
PubChem CID61259747
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
SMILESCCC(CC)C(NC(=O)c1cn[nH]c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-12(4-2)15(13-8-6-5-7-9-13)19-16(20)14-10-17-18-11-14/h5-12,15H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyWSZZPYWIBVQNOG-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-ethyl-1-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 63524588
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 76983689
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
2-(aminomethyl)-N-(2-ethyl-1-phenylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119724628
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide (CID 61259747) is N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide is CCC(CC)C(NC(=O)c1cn[nH]c1)c1ccccc1.
What is the InChIKey of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WSZZPYWIBVQNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-12(4-2)15(13-8-6-5-7-9-13)19-16(20)14-10-17-18-11-14/h5-12,15H,3-4H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide?
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).