N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide

C13H11N3O2 — CID 63080851

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1C#CCO)c1cn[nH]c1
InChIInChI=1S/C13H11N3O2/c17-7-3-5-10-4-1-2-6-12(10)16-13(18)11-8-14-15-9-11/h1-2,4,6,8-9,17H,7H2,(H,14,15)(H,16,18)
InChIKeyBCMURIZRWSEKMR-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.01
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 63080851) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID63080851
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1C#CCO)c1cn[nH]c1
InChIInChI=1S/C13H11N3O2/c17-7-3-5-10-4-1-2-6-12(10)16-13(18)11-8-14-15-9-11/h1-2,4,6,8-9,17H,7H2,(H,14,15)(H,16,18)
InChIKeyBCMURIZRWSEKMR-UHFFFAOYSA-N
XLogP1.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 63079801
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 63078905
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide (CID 63080851) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1ccccc1C#CCO)c1cn[nH]c1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BCMURIZRWSEKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-7-3-5-10-4-1-2-6-12(10)16-13(18)11-8-14-15-9-11/h1-2,4,6,8-9,17H,7H2,(H,14,15)(H,16,18).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63080851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).