(5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol

C13H20N2O — CID 129066391

IUPAC(5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol
SMILESOC1(c2ccn[nH]2)CC2CCC[C@H](CC2)C1
InChIInChI=1S/C13H20N2O/c16-13(12-6-7-14-15-12)8-10-2-1-3-11(9-13)5-4-10/h6-7,10-11,16H,1-5,8-9H2,(H,14,15)/t10-,11?,13?/m1/s1
InChIKeyNBKXYFGIRHOZDF-XSRFYTQQSA-N
MW220.32 g/mol
LogP2.59
Rot. Bonds1

About (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol

(5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol (PubChem CID 129066391) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol.

Molecular Properties

Compound Name(5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol
PubChem CID129066391
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol
SMILESOC1(c2ccn[nH]2)CC2CCC[C@H](CC2)C1
InChIInChI=1S/C13H20N2O/c16-13(12-6-7-14-15-12)8-10-2-1-3-11(9-13)5-4-10/h6-7,10-11,16H,1-5,8-9H2,(H,14,15)/t10-,11?,13?/m1/s1
InChIKeyNBKXYFGIRHOZDF-XSRFYTQQSA-N
XLogP2.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol?
The IUPAC name of (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol (CID 129066391) is (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol.
What is the SMILES notation for (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol?
The canonical SMILES for (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol is OC1(c2ccn[nH]2)CC2CCC[C@H](CC2)C1.
What is the InChIKey of (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol?
The InChIKey is NBKXYFGIRHOZDF-XSRFYTQQSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13(12-6-7-14-15-12)8-10-2-1-3-11(9-13)5-4-10/h6-7,10-11,16H,1-5,8-9H2,(H,14,15)/t10-,11?,13?/m1/s1.
What are the key properties of (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol?
(5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol has a molecular weight of 220.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1H-pyrazol-5-yl)bicyclo[3.3.2]decan-3-ol is sourced from PubChem (CID 129066391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).