1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea

C19H19FN4O — CID 119045036

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea
SMILESCn1cc(-c2ccccc2)c(NC(=O)NCCc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN4O/c1-24-13-17(15-7-3-2-4-8-15)18(23-24)22-19(25)21-11-10-14-6-5-9-16(20)12-14/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyAOMGYALAPFCMOT-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea

1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea (PubChem CID 119045036) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea
PubChem CID119045036
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea
SMILESCn1cc(-c2ccccc2)c(NC(=O)NCCc2cccc(F)c2)n1
InChIInChI=1S/C19H19FN4O/c1-24-13-17(15-7-3-2-4-8-15)18(23-24)22-19(25)21-11-10-14-6-5-9-16(20)12-14/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyAOMGYALAPFCMOT-UHFFFAOYSA-N
XLogP3.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(1-methyl-1H-pyrazol-3-yl)-urea
CID 11373714
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526618
4-methyl-N-(4-phenylbutyl)pyrazole-1-carboxamide
CID 118526906
N-(1-methyl-1H-pyrazol-3-yl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 971096
3-(dimethylamino)-4-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-1-carboxamide
CID 1473148
4-methyl-N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526406
N-(4-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815276
N-[2-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-3-yl]acetamide
CID 95045828
2,4-Dihydroxy-8-phenylpyrazolo[1,5-a]-1,3,5-triazine
CID 135789668
US20250066363, Example 7
CID 176178766
3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine
CID 135894588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea (CID 119045036) is 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea is Cn1cc(-c2ccccc2)c(NC(=O)NCCc2cccc(F)c2)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
The InChIKey is AOMGYALAPFCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-24-13-17(15-7-3-2-4-8-15)18(23-24)22-19(25)21-11-10-14-6-5-9-16(20)12-14/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea has a molecular weight of 338.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 119045036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).