1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol

C17H27N5O — CID 141421979

IUPAC1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol
SMILESCC(C)(C)c1ccn(-c2cnn(CCN3CCC(O)CC3)c2)n1
InChIInChI=1S/C17H27N5O/c1-17(2,3)16-6-9-22(19-16)14-12-18-21(13-14)11-10-20-7-4-15(23)5-8-20/h6,9,12-13,15,23H,4-5,7-8,10-11H2,1-3H3
InChIKeyHUEUKCVQCZOPKC-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol

1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol (PubChem CID 141421979) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol
PubChem CID141421979
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol
SMILESCC(C)(C)c1ccn(-c2cnn(CCN3CCC(O)CC3)c2)n1
InChIInChI=1S/C17H27N5O/c1-17(2,3)16-6-9-22(19-16)14-12-18-21(13-14)11-10-20-7-4-15(23)5-8-20/h6,9,12-13,15,23H,4-5,7-8,10-11H2,1-3H3
InChIKeyHUEUKCVQCZOPKC-UHFFFAOYSA-N
XLogP1.82
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol (CID 141421979) is 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol is CC(C)(C)c1ccn(-c2cnn(CCN3CCC(O)CC3)c2)n1.
What is the InChIKey of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol?
The InChIKey is HUEUKCVQCZOPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-17(2,3)16-6-9-22(19-16)14-12-18-21(13-14)11-10-20-7-4-15(23)5-8-20/h6,9,12-13,15,23H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol?
1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol has a molecular weight of 317.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 141421979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).