3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide

C14H13N3O2 — CID 54982421

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cccc(C#CCO)c1
InChIInChI=1S/C14H13N3O2/c18-6-2-4-11-3-1-5-13(7-11)14(19)15-8-12-9-16-17-10-12/h1,3,5,7,9-10,18H,6,8H2,(H,15,19)(H,16,17)
InChIKeyOUQOZDHVLPDABO-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.68
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide

3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 54982421) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID54982421
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cccc(C#CCO)c1
InChIInChI=1S/C14H13N3O2/c18-6-2-4-11-3-1-5-13(7-11)14(19)15-8-12-9-16-17-10-12/h1,3,5,7,9-10,18H,6,8H2,(H,15,19)(H,16,17)
InChIKeyOUQOZDHVLPDABO-UHFFFAOYSA-N
XLogP0.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide 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

4-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982374
5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-carboxamide
CID 79696149
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353
N-(1H-pyrazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60735987
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 54982421) is 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]c1)c1cccc(C#CCO)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is OUQOZDHVLPDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-6-2-4-11-3-1-5-13(7-11)14(19)15-8-12-9-16-17-10-12/h1,3,5,7,9-10,18H,6,8H2,(H,15,19)(H,16,17).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 255.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 54982421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).