(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol

C14H24N2O — CID 67965136

IUPAC(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1cnn([C@H](CCO)C2CCCC2)c1
InChIInChI=1S/C14H24N2O/c1-11(2)13-9-15-16(10-13)14(7-8-17)12-5-3-4-6-12/h9-12,14,17H,3-8H2,1-2H3/t14-/m1/s1
InChIKeyJBOYTEQQZZBEJJ-CQSZACIVSA-N
MW236.36 g/mol
LogP3.12
Rot. Bonds5

About (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol

(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol (PubChem CID 67965136) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
PubChem CID67965136
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1cnn([C@H](CCO)C2CCCC2)c1
InChIInChI=1S/C14H24N2O/c1-11(2)13-9-15-16(10-13)14(7-8-17)12-5-3-4-6-12/h9-12,14,17H,3-8H2,1-2H3/t14-/m1/s1
InChIKeyJBOYTEQQZZBEJJ-CQSZACIVSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The IUPAC name of (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol (CID 67965136) is (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol is CC(C)c1cnn([C@H](CCO)C2CCCC2)c1.
What is the InChIKey of (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The InChIKey is JBOYTEQQZZBEJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13-9-15-16(10-13)14(7-8-17)12-5-3-4-6-12/h9-12,14,17H,3-8H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 67965136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).