1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine

C25H30N4O — CID 90969978

IUPAC1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine
SMILESc1ccc(Oc2ccc(-c3ccn(C4CCC(N5CCNCC5)CC4)n3)cc2)cc1
InChIInChI=1S/C25H30N4O/c1-2-4-23(5-3-1)30-24-12-6-20(7-13-24)25-14-17-29(27-25)22-10-8-21(9-11-22)28-18-15-26-16-19-28/h1-7,12-14,17,21-22,26H,8-11,15-16,18-19H2
InChIKeyOHQUCNIDKSOYMU-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.73
Rot. Bonds5

About 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine

1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine (PubChem CID 90969978) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine
PubChem CID90969978
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine
SMILESc1ccc(Oc2ccc(-c3ccn(C4CCC(N5CCNCC5)CC4)n3)cc2)cc1
InChIInChI=1S/C25H30N4O/c1-2-4-23(5-3-1)30-24-12-6-20(7-13-24)25-14-17-29(27-25)22-10-8-21(9-11-22)28-18-15-26-16-19-28/h1-7,12-14,17,21-22,26H,8-11,15-16,18-19H2
InChIKeyOHQUCNIDKSOYMU-UHFFFAOYSA-N
XLogP4.73
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine
CID 162786162
1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 174444259
1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole
CID 90761360
1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole
CID 90735139
3-[3-(4-phenoxyphenyl)pyrazol-1-yl]-1-(2,3,5,6-tetrafluorophenyl)sulfonylpiperidine
CID 175248692
3-(4-phenoxyphenyl)-1-[(3R)-1-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]pyrazole
CID 175373589
1-methyl-4-[4-[3-(4-phenoxyphenyl)pyrrol-1-yl]cyclohexyl]piperazine
CID 156724503
3-(4-phenoxyphenyl)-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidine
CID 141059419
3-(4-phenoxyphenyl)-1-[1-(1-piperidin-4-ylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 139945625
1-[4-[4-(azetidin-3-yl)piperazin-1-yl]cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162719607
4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 11301624
5-chloro-2-[4-(1-piperidin-3-ylpyrazol-3-yl)phenoxy]pyridine
CID 175006327

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine?
The IUPAC name of 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine (CID 90969978) is 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine.
What is the SMILES notation for 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine?
The canonical SMILES for 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine is c1ccc(Oc2ccc(-c3ccn(C4CCC(N5CCNCC5)CC4)n3)cc2)cc1.
What is the InChIKey of 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine?
The InChIKey is OHQUCNIDKSOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-4-23(5-3-1)30-24-12-6-20(7-13-24)25-14-17-29(27-25)22-10-8-21(9-11-22)28-18-15-26-16-19-28/h1-7,12-14,17,21-22,26H,8-11,15-16,18-19H2.
What are the key properties of 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine?
1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine has a molecular weight of 402.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine is sourced from PubChem (CID 90969978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).