(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide

C15H19N3O — CID 92708028

IUPAC(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
SMILESC[C@H](CC(=O)NCCc1ccccc1)n1cccn1
InChIInChI=1S/C15H19N3O/c1-13(18-11-5-9-17-18)12-15(19)16-10-8-14-6-3-2-4-7-14/h2-7,9,11,13H,8,10,12H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyGGWYMMOLBOLZIS-CYBMUJFWSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds6

About (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide

(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide (PubChem CID 92708028) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
PubChem CID92708028
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
SMILESC[C@H](CC(=O)NCCc1ccccc1)n1cccn1
InChIInChI=1S/C15H19N3O/c1-13(18-11-5-9-17-18)12-15(19)16-10-8-14-6-3-2-4-7-14/h2-7,9,11,13H,8,10,12H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyGGWYMMOLBOLZIS-CYBMUJFWSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945
(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708012
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
(3S)-N-(3,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708025
(2R,3S)-N-(2-phenylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95346375
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119549384
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86829297
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazol-1-ylbutanamide
CID 92708005
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
(3S)-5-methyl-3-[2-oxo-2-(2-phenylethylamino)ethyl]hexanoic acid
CID 126509470

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide (CID 92708028) is (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide is C[C@H](CC(=O)NCCc1ccccc1)n1cccn1.
What is the InChIKey of (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide?
The InChIKey is GGWYMMOLBOLZIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13(18-11-5-9-17-18)12-15(19)16-10-8-14-6-3-2-4-7-14/h2-7,9,11,13H,8,10,12H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide?
(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide has a molecular weight of 257.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92708028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).