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

C19H18F2N4O — CID 119045027

IUPAC1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea
SMILESCn1cc(-c2ccccc2)c(NC(=O)NCCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H18F2N4O/c1-25-12-15(14-5-3-2-4-6-14)18(24-25)23-19(26)22-10-9-13-7-8-16(20)17(21)11-13/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,26)
InChIKeyBLAJNRWGEQAMGF-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.73
Rot. Bonds5

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

1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea (PubChem CID 119045027) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea
PubChem CID119045027
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea
SMILESCn1cc(-c2ccccc2)c(NC(=O)NCCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C19H18F2N4O/c1-25-12-15(14-5-3-2-4-6-14)18(24-25)23-19(26)22-10-9-13-7-8-16(20)17(21)11-13/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,26)
InChIKeyBLAJNRWGEQAMGF-UHFFFAOYSA-N
XLogP3.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
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-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
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-[2-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-3-yl]acetamide
CID 95045828
US20250066363, Example 7
CID 176178766

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea (CID 119045027) is 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea is Cn1cc(-c2ccccc2)c(NC(=O)NCCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
The InChIKey is BLAJNRWGEQAMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-25-12-15(14-5-3-2-4-6-14)18(24-25)23-19(26)22-10-9-13-7-8-16(20)17(21)11-13/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,26).
What are the key properties of 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea?
1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea has a molecular weight of 356.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)ethyl]-3-(1-methyl-4-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 119045027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).