1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C18H18N4O — CID 71654760

IUPAC1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18N4O/c23-18(19-11-10-14-4-2-1-3-5-14)22-17-8-6-15(7-9-17)16-12-20-21-13-16/h1-9,12-13H,10-11H2,(H,20,21)(H2,19,22,23)
InChIKeyDWGJNYSMPHRXBP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 71654760) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID71654760
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18N4O/c23-18(19-11-10-14-4-2-1-3-5-14)22-17-8-6-15(7-9-17)16-12-20-21-13-16/h1-9,12-13H,10-11H2,(H,20,21)(H2,19,22,23)
InChIKeyDWGJNYSMPHRXBP-UHFFFAOYSA-N
XLogP3.44
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]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-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 72872817
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-benzyl-1-propan-2-yl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68520643
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
1-benzyl-1-(2-hydroxyethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565003
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 71654760) is 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is O=C(NCCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is DWGJNYSMPHRXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(19-11-10-14-4-2-1-3-5-14)22-17-8-6-15(7-9-17)16-12-20-21-13-16/h1-9,12-13H,10-11H2,(H,20,21)(H2,19,22,23).
What are the key properties of 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 306.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 71654760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).