1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea

C22H24N4O — CID 11728105

IUPAC1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(C2CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(23-18-12-6-2-7-13-18)24-21-16-20(17-10-4-1-5-11-17)25-26(21)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2,(H2,23,24,27)
InChIKeyGKENYYBBXHLOLY-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.56
Rot. Bonds4

About 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea

1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea (PubChem CID 11728105) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea
PubChem CID11728105
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(C2CCCCC2)nn1-c1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(23-18-12-6-2-7-13-18)24-21-16-20(17-10-4-1-5-11-17)25-26(21)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2,(H2,23,24,27)
InChIKeyGKENYYBBXHLOLY-UHFFFAOYSA-N
XLogP5.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea?
The IUPAC name of 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea (CID 11728105) is 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea?
The canonical SMILES for 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cc(C2CCCCC2)nn1-c1ccccc1.
What is the InChIKey of 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea?
The InChIKey is GKENYYBBXHLOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(23-18-12-6-2-7-13-18)24-21-16-20(17-10-4-1-5-11-17)25-26(21)19-14-8-3-9-15-19/h2-3,6-9,12-17H,1,4-5,10-11H2,(H2,23,24,27).
What are the key properties of 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea?
1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea has a molecular weight of 360.46 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1-phenylpyrazol-5-yl)-3-phenylurea is sourced from PubChem (CID 11728105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).