N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide

C14H17N3O2 — CID 106843256

IUPACN-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCCCO)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c18-11-5-4-9-15-14(19)13-8-10-17(16-13)12-6-2-1-3-7-12/h1-3,6-8,10,18H,4-5,9,11H2,(H,15,19)
InChIKeyQZBJAUIVMPCIBH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.37
Rot. Bonds6

About N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide

N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 106843256) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
PubChem CID106843256
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCCCO)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c18-11-5-4-9-15-14(19)13-8-10-17(16-13)12-6-2-1-3-7-12/h1-3,6-8,10,18H,4-5,9,11H2,(H,15,19)
InChIKeyQZBJAUIVMPCIBH-UHFFFAOYSA-N
XLogP1.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 46478570
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413
N-(3-hydroxypropyl)-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 100820014

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide (CID 106843256) is N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide is O=C(NCCCCO)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is QZBJAUIVMPCIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-11-5-4-9-15-14(19)13-8-10-17(16-13)12-6-2-1-3-7-12/h1-3,6-8,10,18H,4-5,9,11H2,(H,15,19).
What are the key properties of N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide?
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 106843256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).