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

C12H11F3N4O2 — CID 122147106

IUPAC1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)cc2OC(F)F)n[nH]1
InChIInChI=1S/C12H11F3N4O2/c1-6-4-10(19-18-6)17-12(20)16-8-3-2-7(13)5-9(8)21-11(14)15/h2-5,11H,1H3,(H3,16,17,18,19,20)
InChIKeyQMZQZYQLQXULNE-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.10
Rot. Bonds4

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

1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea (PubChem CID 122147106) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
PubChem CID122147106
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)cc2OC(F)F)n[nH]1
InChIInChI=1S/C12H11F3N4O2/c1-6-4-10(19-18-6)17-12(20)16-8-3-2-7(13)5-9(8)21-11(14)15/h2-5,11H,1H3,(H3,16,17,18,19,20)
InChIKeyQMZQZYQLQXULNE-UHFFFAOYSA-N
XLogP3.10
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
3-[[2-(difluoromethoxy)-4-fluorophenyl]carbamoylamino]propanoic acid
CID 122085733
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533935
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
CID 97261314
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857797
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea (CID 122147106) is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(F)cc2OC(F)F)n[nH]1.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
The InChIKey is QMZQZYQLQXULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-6-4-10(19-18-6)17-12(20)16-8-3-2-7(13)5-9(8)21-11(14)15/h2-5,11H,1H3,(H3,16,17,18,19,20).
What are the key properties of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea has a molecular weight of 300.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 122147106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).