1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea

C25H24N4O — CID 11069316

IUPAC1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea
SMILESCC(C)(c1ccccc1)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O/c1-25(2,19-12-6-3-7-13-19)22-18-23(29(28-22)21-16-10-5-11-17-21)27-24(30)26-20-14-8-4-9-15-20/h3-18H,1-2H3,(H2,26,27,30)
InChIKeySFTNVXWKNHSZDN-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.84
Rot. Bonds5

About 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea

1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea (PubChem CID 11069316) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea
PubChem CID11069316
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea
SMILESCC(C)(c1ccccc1)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H24N4O/c1-25(2,19-12-6-3-7-13-19)22-18-23(29(28-22)21-16-10-5-11-17-21)27-24(30)26-20-14-8-4-9-15-20/h3-18H,1-2H3,(H2,26,27,30)
InChIKeySFTNVXWKNHSZDN-UHFFFAOYSA-N
XLogP5.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56642816
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
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Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
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1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
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N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea?
The IUPAC name of 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea (CID 11069316) is 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea.
What is the SMILES notation for 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea?
The canonical SMILES for 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea is CC(C)(c1ccccc1)c1cc(NC(=O)Nc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea?
The InChIKey is SFTNVXWKNHSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-25(2,19-12-6-3-7-13-19)22-18-23(29(28-22)21-16-10-5-11-17-21)27-24(30)26-20-14-8-4-9-15-20/h3-18H,1-2H3,(H2,26,27,30).
What are the key properties of 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea?
1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea has a molecular weight of 396.49 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea is sourced from PubChem (CID 11069316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).