1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea

C11H11FN4O — CID 47083640

IUPAC1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]ncc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H11FN4O/c1-7-10(6-13-16-7)15-11(17)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,16)(H2,14,15,17)
InChIKeyPBHNYSNUIAIBGR-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea

1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea (PubChem CID 47083640) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea
PubChem CID47083640
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea
SMILESCc1[nH]ncc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H11FN4O/c1-7-10(6-13-16-7)15-11(17)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,16)(H2,14,15,17)
InChIKeyPBHNYSNUIAIBGR-UHFFFAOYSA-N
XLogP2.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2807997
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CID 19626212
1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
1-phenyl-3-[(E)-1-(1H-pyrazol-5-yl)ethylideneamino]thiourea
CID 155563436
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea
CID 34695105
1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 34695112
1-[1-(1,5-Dimethylpyrazol-4-yl)ethyl]-3-(2-fluorophenyl)urea
CID 45811864
1-(4-Fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45814217
1-(3,4-Difluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 47032156
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(pyridin-2-ylmethyl)urea
CID 53501461
4-[(2,4-difluorophenyl)carbamoylamino]-N-(1H-pyrazol-4-yl)butanamide
CID 53587959
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CID 53589836

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea (CID 47083640) is 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea is Cc1[nH]ncc1NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea?
The InChIKey is PBHNYSNUIAIBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-7-10(6-13-16-7)15-11(17)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,13,16)(H2,14,15,17).
What are the key properties of 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea?
1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea has a molecular weight of 234.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 47083640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).