1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol

C22H33N3O — CID 11792548

IUPAC1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol
SMILESCC(C)(C)c1c(C(O)CCCN2CCCCC2)cnn1-c1ccccc1
InChIInChI=1S/C22H33N3O/c1-22(2,3)21-19(17-23-25(21)18-11-6-4-7-12-18)20(26)13-10-16-24-14-8-5-9-15-24/h4,6-7,11-12,17,20,26H,5,8-10,13-16H2,1-3H3
InChIKeyCPNVMAROUSAWAH-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.47
Rot. Bonds6

About 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol

1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol (PubChem CID 11792548) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol
PubChem CID11792548
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol
SMILESCC(C)(C)c1c(C(O)CCCN2CCCCC2)cnn1-c1ccccc1
InChIInChI=1S/C22H33N3O/c1-22(2,3)21-19(17-23-25(21)18-11-6-4-7-12-18)20(26)13-10-16-24-14-8-5-9-15-24/h4,6-7,11-12,17,20,26H,5,8-10,13-16H2,1-3H3
InChIKeyCPNVMAROUSAWAH-UHFFFAOYSA-N
XLogP4.47
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol?
The IUPAC name of 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol (CID 11792548) is 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol is CC(C)(C)c1c(C(O)CCCN2CCCCC2)cnn1-c1ccccc1.
What is the InChIKey of 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol?
The InChIKey is CPNVMAROUSAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-22(2,3)21-19(17-23-25(21)18-11-6-4-7-12-18)20(26)13-10-16-24-14-8-5-9-15-24/h4,6-7,11-12,17,20,26H,5,8-10,13-16H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol?
1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol has a molecular weight of 355.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1-phenylpyrazol-4-yl)-4-piperidin-1-ylbutan-1-ol is sourced from PubChem (CID 11792548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).