N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide

C14H17N3O2 — CID 43428002

IUPACN-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-2-11(10-18)15-14(19)13-8-9-17(16-13)12-6-4-3-5-7-12/h3-9,11,18H,2,10H2,1H3,(H,15,19)
InChIKeyABAIYTCRXFYJHK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide

N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 43428002) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID43428002
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-2-11(10-18)15-14(19)13-8-9-17(16-13)12-6-4-3-5-7-12/h3-9,11,18H,2,10H2,1H3,(H,15,19)
InChIKeyABAIYTCRXFYJHK-UHFFFAOYSA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
CID 43498480
N-[(2S)-1-hydroxybutan-2-yl]-1-phenyltriazole-4-carboxamide
CID 104981237
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721
1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
CID 65310413
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
3-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 7721800

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide (CID 43428002) is N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide is CCC(CO)NC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is ABAIYTCRXFYJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-11(10-18)15-14(19)13-8-9-17(16-13)12-6-4-3-5-7-12/h3-9,11,18H,2,10H2,1H3,(H,15,19).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide?
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 43428002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).