1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea

C19H24N4O — CID 119060843

IUPAC1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCn1cc(CCNC(=O)N(C/C=C/c2ccccc2)C2CC2)cn1
InChIInChI=1S/C19H24N4O/c1-22-15-17(14-21-22)11-12-20-19(24)23(18-9-10-18)13-5-8-16-6-3-2-4-7-16/h2-8,14-15,18H,9-13H2,1H3,(H,20,24)/b8-5+
InChIKeyHTEIXBFAYYOTRZ-VMPITWQZSA-N
MW324.43 g/mol
LogP2.85
Rot. Bonds7

About 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea

1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 119060843) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID119060843
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCn1cc(CCNC(=O)N(C/C=C/c2ccccc2)C2CC2)cn1
InChIInChI=1S/C19H24N4O/c1-22-15-17(14-21-22)11-12-20-19(24)23(18-9-10-18)13-5-8-16-6-3-2-4-7-16/h2-8,14-15,18H,9-13H2,1H3,(H,20,24)/b8-5+
InChIKeyHTEIXBFAYYOTRZ-VMPITWQZSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]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

N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
4-cyano-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526497
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526618
N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526772
4-cyano-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526846
4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526906
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
N-(2-phenylcyclopropyl)-4-(1H-pyrazol-1-yl)piperidine-1-carboxamide
CID 45273373
(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155514780

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea (CID 119060843) is 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea is Cn1cc(CCNC(=O)N(C/C=C/c2ccccc2)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is HTEIXBFAYYOTRZ-VMPITWQZSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-15-17(14-21-22)11-12-20-19(24)23(18-9-10-18)13-5-8-16-6-3-2-4-7-16/h2-8,14-15,18H,9-13H2,1H3,(H,20,24)/b8-5+.
What are the key properties of 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea?
1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 324.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 119060843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).