1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C15H18N4O — CID 47140200

IUPAC1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESC=CCNC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N4O/c1-2-9-16-15(20)17-11-8-13-4-6-14(7-5-13)19-12-3-10-18-19/h2-7,10,12H,1,8-9,11H2,(H2,16,17,20)
InChIKeyIUNUXZPEFUBVKF-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.90
Rot. Bonds6

About 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 47140200) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID47140200
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESC=CCNC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N4O/c1-2-9-16-15(20)17-11-8-13-4-6-14(7-5-13)19-12-3-10-18-19/h2-7,10,12H,1,8-9,11H2,(H2,16,17,20)
InChIKeyIUNUXZPEFUBVKF-UHFFFAOYSA-N
XLogP1.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea 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

1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337934
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337933
1-(2-hydroxycyclohexyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 110933218
1-ethyl-3-prop-2-enyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 136926052
1-naphthalen-2-yl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78871809
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 38205059
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111504349
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
CID 41412655
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 47140200) is 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is C=CCNC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is IUNUXZPEFUBVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-9-16-15(20)17-11-8-13-4-6-14(7-5-13)19-12-3-10-18-19/h2-7,10,12H,1,8-9,11H2,(H2,16,17,20).
What are the key properties of 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 270.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 47140200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).