N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide

C14H17N3O2 — CID 43418024

IUPACN-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-2-11(9-18)15-14(19)13-8-12(16-17-13)10-6-4-3-5-7-10/h3-8,11,18H,2,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyBWMZRMPIHDJWEQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.58
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 43418024) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID43418024
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCC(CO)NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O2/c1-2-11(9-18)15-14(19)13-8-12(16-17-13)10-6-4-3-5-7-10/h3-8,11,18H,2,9H2,1H3,(H,15,19)(H,16,17)
InChIKeyBWMZRMPIHDJWEQ-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205470
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
4-bromo-N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110907793
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 43418024) is N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide is CCC(CO)NC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is BWMZRMPIHDJWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-11(9-18)15-14(19)13-8-12(16-17-13)10-6-4-3-5-7-10/h3-8,11,18H,2,9H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 43418024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).