1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea

C25H28N4O — CID 72718802

IUPAC1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O/c30-25(27-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-15-16-29-23(19-13-14-19)17-22(28-29)18-11-12-18/h1-10,17-19,24H,11-16H2,(H2,26,27,30)
InChIKeyUXZVYPGKDRNSBV-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.73
Rot. Bonds8

About 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea

1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea (PubChem CID 72718802) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
PubChem CID72718802
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N4O/c30-25(27-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-15-16-29-23(19-13-14-19)17-22(28-29)18-11-12-18/h1-10,17-19,24H,11-16H2,(H2,26,27,30)
InChIKeyUXZVYPGKDRNSBV-UHFFFAOYSA-N
XLogP4.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
CID 121139309
1-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 121139465
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
(2R)-N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenylbutanamide
CID 97427511
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
1-benzhydryl-3-[2-[4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]ethyl]urea
CID 121078136
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
CID 121139208
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
(E)-N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 121139199
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea (CID 72718802) is 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea is O=C(NCCn1nc(C2CC2)cc1C1CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
The InChIKey is UXZVYPGKDRNSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(27-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-15-16-29-23(19-13-14-19)17-22(28-29)18-11-12-18/h1-10,17-19,24H,11-16H2,(H2,26,27,30).
What are the key properties of 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea has a molecular weight of 400.53 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 72718802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).