3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide

C14H17N3O2 — CID 43429540

IUPAC3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O2/c1-10(2)9-19-13-5-3-4-11(6-13)14(18)17-12-7-15-16-8-12/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZNLUVEKQVZKNDA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.70
Rot. Bonds5

About 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide

3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43429540) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43429540
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3O2/c1-10(2)9-19-13-5-3-4-11(6-13)14(18)17-12-7-15-16-8-12/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZNLUVEKQVZKNDA-UHFFFAOYSA-N
XLogP2.70
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)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

N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231448
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide (CID 43429540) is 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide is CC(C)COc1cccc(C(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is ZNLUVEKQVZKNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)9-19-13-5-3-4-11(6-13)14(18)17-12-7-15-16-8-12/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide?
3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43429540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).