1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine

C26H40N4O — CID 138707935

IUPAC1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)Oc1nn(C2CCCCC2)cc1-c1ccc(CN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C26H40N4O/c1-20(2)29-16-14-28(15-17-29)18-22-10-12-23(13-11-22)25-19-30(24-8-6-5-7-9-24)27-26(25)31-21(3)4/h10-13,19-21,24H,5-9,14-18H2,1-4H3
InChIKeyKQJCAIAVAZTNGC-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.37
Rot. Bonds7

About 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine

1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine (PubChem CID 138707935) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine
PubChem CID138707935
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC Name1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)Oc1nn(C2CCCCC2)cc1-c1ccc(CN2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C26H40N4O/c1-20(2)29-16-14-28(15-17-29)18-22-10-12-23(13-11-22)25-19-30(24-8-6-5-7-9-24)27-26(25)31-21(3)4/h10-13,19-21,24H,5-9,14-18H2,1-4H3
InChIKeyKQJCAIAVAZTNGC-UHFFFAOYSA-N
XLogP5.37
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

1-cyclohexyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741909
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
2-[3-propan-2-yloxy-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 71041166
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
CID 178026947
1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine
CID 165428077
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662772
4-[2-(2-cyclopropylethylamino)-5-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
CID 166023766
1-propan-2-yl-4-[[5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2-pyridinyl]methyl]piperazine
CID 59543440
2-bromo-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetaldehyde
CID 89239415
ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine
CID 145147233

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine (CID 138707935) is 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine is CC(C)Oc1nn(C2CCCCC2)cc1-c1ccc(CN2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is KQJCAIAVAZTNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-20(2)29-16-14-28(15-17-29)18-22-10-12-23(13-11-22)25-19-30(24-8-6-5-7-9-24)27-26(25)31-21(3)4/h10-13,19-21,24H,5-9,14-18H2,1-4H3.
What are the key properties of 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 424.63 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-cyclohexyl-3-propan-2-yloxypyrazol-4-yl)phenyl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 138707935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).