1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

C23H23F3N4O — CID 71807794

IUPAC1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)20-15-19(16-11-12-16)30(29-20)14-13-27-22(31)28-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,21H,11-14H2,(H2,27,28,31)
InChIKeyXQPRAXGYIHYKGO-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.87
Rot. Bonds7

About 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (PubChem CID 71807794) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
PubChem CID71807794
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)20-15-19(16-11-12-16)30(29-20)14-13-27-22(31)28-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,21H,11-14H2,(H2,27,28,31)
InChIKeyXQPRAXGYIHYKGO-UHFFFAOYSA-N
XLogP4.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
1-(2,4-difluorophenyl)-3-[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]urea
CID 44589665
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151259440
6-cyclopropyl-3-(4-fluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151334752
6-cyclopropyl-3-(2,4-difluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 152001053
N-[3-(trifluoromethyl)phenyl]-N'-(1,3,5-trimethyl-1H-pyrazol-4-yl)urea
CID 970204
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (CID 71807794) is 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The InChIKey is XQPRAXGYIHYKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c24-23(25,26)20-15-19(16-11-12-16)30(29-20)14-13-27-22(31)28-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,21H,11-14H2,(H2,27,28,31).
What are the key properties of 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea has a molecular weight of 428.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is sourced from PubChem (CID 71807794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).