3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

C13H13N3O2 — CID 47177700

IUPAC3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C13H13N3O2/c1-18-12-4-2-3-10(7-12)5-6-13(17)16-11-8-14-15-9-11/h2-9H,1H3,(H,14,15)(H,16,17)
InChIKeyGMBUVSVPBAZQJR-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.07
Rot. Bonds4

About 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide (PubChem CID 47177700) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
PubChem CID47177700
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C13H13N3O2/c1-18-12-4-2-3-10(7-12)5-6-13(17)16-11-8-14-15-9-11/h2-9H,1H3,(H,14,15)(H,16,17)
InChIKeyGMBUVSVPBAZQJR-UHFFFAOYSA-N
XLogP2.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide 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

(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43430724
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
3-(3-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4800856
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3565725
(E)-3-(3-methoxyphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 26956084
3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
CID 103597812
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 8797787
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide (CID 47177700) is 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide is COc1cccc(C=CC(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The InChIKey is GMBUVSVPBAZQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-12-4-2-3-10(7-12)5-6-13(17)16-11-8-14-15-9-11/h2-9H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide has a molecular weight of 243.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 47177700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).