1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

C13H15FN4O — CID 47027605

IUPAC1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN4O/c1-10(9-18-8-4-7-15-18)16-13(19)17-12-6-3-2-5-11(12)14/h2-8,10H,9H2,1H3,(H2,16,17,19)
InChIKeyWEPQTWIIBJHAHT-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 47027605) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID47027605
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN4O/c1-10(9-18-8-4-7-15-18)16-13(19)17-12-6-3-2-5-11(12)14/h2-8,10H,9H2,1H3,(H2,16,17,19)
InChIKeyWEPQTWIIBJHAHT-UHFFFAOYSA-N
XLogP2.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
1-(2-fluorophenyl)-3-[3-methyl-1-(triazol-2-yl)butan-2-yl]urea
CID 121176932
1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 94028861
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 47027605) is 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is WEPQTWIIBJHAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-10(9-18-8-4-7-15-18)16-13(19)17-12-6-3-2-5-11(12)14/h2-8,10H,9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 262.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 47027605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).