1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea

C20H18F2N4O — CID 70789192

IUPAC1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18F2N4O/c1-12-9-15(12)18-11-19(26(25-18)14-5-3-2-4-6-14)24-20(27)23-13-7-8-16(21)17(22)10-13/h2-8,10-12,15H,9H2,1H3,(H2,23,24,27)
InChIKeyQZVZKUFXKQGDGX-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.92
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea

1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (PubChem CID 70789192) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
PubChem CID70789192
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C20H18F2N4O/c1-12-9-15(12)18-11-19(26(25-18)14-5-3-2-4-6-14)24-20(27)23-13-7-8-16(21)17(22)10-13/h2-8,10-12,15H,9H2,1H3,(H2,23,24,27)
InChIKeyQZVZKUFXKQGDGX-UHFFFAOYSA-N
XLogP4.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (CID 70789192) is 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is CC1CC1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is QZVZKUFXKQGDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-12-9-15(12)18-11-19(26(25-18)14-5-3-2-4-6-14)24-20(27)23-13-7-8-16(21)17(22)10-13/h2-8,10-12,15H,9H2,1H3,(H2,23,24,27).
What are the key properties of 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 368.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 70789192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).