1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea

C21H21FN4O — CID 118715831

IUPAC1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
SMILESCC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-14-10-18(14)19-12-20(26(25-19)13-15-6-3-2-4-7-15)24-21(27)23-17-9-5-8-16(22)11-17/h2-9,11-12,14,18H,10,13H2,1H3,(H2,23,24,27)
InChIKeyCYFCTSATGJGIQC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.84
Rot. Bonds5

About 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea

1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea (PubChem CID 118715831) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
PubChem CID118715831
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
SMILESCC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1
InChIInChI=1S/C21H21FN4O/c1-14-10-18(14)19-12-20(26(25-19)13-15-6-3-2-4-7-15)24-21(27)23-17-9-5-8-16(22)11-17/h2-9,11-12,14,18H,10,13H2,1H3,(H2,23,24,27)
InChIKeyCYFCTSATGJGIQC-UHFFFAOYSA-N
XLogP4.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea (CID 118715831) is 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea is CC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea?
The InChIKey is CYFCTSATGJGIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-14-10-18(14)19-12-20(26(25-19)13-15-6-3-2-4-7-15)24-21(27)23-17-9-5-8-16(22)11-17/h2-9,11-12,14,18H,10,13H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea?
1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea has a molecular weight of 364.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 118715831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).