3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide

C12H12ClN3O2 — CID 43429927

IUPAC3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
SMILESCCn1cc(NC(=O)c2ccc(O)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O2/c1-2-16-7-9(6-14-16)15-12(18)8-3-4-11(17)10(13)5-8/h3-7,17H,2H2,1H3,(H,15,18)
InChIKeyKHBZHINGCYBCJX-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.51
Rot. Bonds3

About 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide

3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide (PubChem CID 43429927) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
PubChem CID43429927
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide
SMILESCCn1cc(NC(=O)c2ccc(O)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClN3O2/c1-2-16-7-9(6-14-16)15-12(18)8-3-4-11(17)10(13)5-8/h3-7,17H,2H2,1H3,(H,15,18)
InChIKeyKHBZHINGCYBCJX-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide 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

2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482
3-chloro-N-(1-ethylpyrazol-4-yl)-4-nitrobenzamide
CID 82781184
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
methyl 2-[4-[(3,4-dihydroxybenzoyl)amino]pyrazol-1-yl]acetate
CID 103956596
4-[4-[(3,4-dichlorobenzoyl)amino]pyrazol-1-yl]butanoic acid
CID 4919605
methyl 2-[4-[(3-chloro-4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 81422798
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
6-(dimethylamino)-N-[5-[(1-ethylpyrazol-4-yl)carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 172671309
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide (CID 43429927) is 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide is CCn1cc(NC(=O)c2ccc(O)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide?
The InChIKey is KHBZHINGCYBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-16-7-9(6-14-16)15-12(18)8-3-4-11(17)10(13)5-8/h3-7,17H,2H2,1H3,(H,15,18).
What are the key properties of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide?
3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide has a molecular weight of 265.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethylpyrazol-4-yl)-4-hydroxybenzamide is sourced from PubChem (CID 43429927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).