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

C20H19FN4O — CID 70789129

IUPAC1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-13-10-17(13)18-12-19(25(24-18)16-8-3-2-4-9-16)23-20(26)22-15-7-5-6-14(21)11-15/h2-9,11-13,17H,10H2,1H3,(H2,22,23,26)
InChIKeyPXBRMSLPAQOCCZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.78
Rot. Bonds4

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

1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (PubChem CID 70789129) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
PubChem CID70789129
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
SMILESCC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C20H19FN4O/c1-13-10-17(13)18-12-19(25(24-18)16-8-3-2-4-9-16)23-20(26)22-15-7-5-6-14(21)11-15/h2-9,11-13,17H,10H2,1H3,(H2,22,23,26)
InChIKeyPXBRMSLPAQOCCZ-UHFFFAOYSA-N
XLogP4.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea (CID 70789129) is 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is CC1CC1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is PXBRMSLPAQOCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-10-17(13)18-12-19(25(24-18)16-8-3-2-4-9-16)23-20(26)22-15-7-5-6-14(21)11-15/h2-9,11-13,17H,10H2,1H3,(H2,22,23,26).
What are the key properties of 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea?
1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 350.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 70789129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).