[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol

C11H18N2O3 — CID 165470394

IUPAC[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol
SMILESCC1(C)OCC(CCn2cc(CO)cn2)O1
InChIInChI=1S/C11H18N2O3/c1-11(2)15-8-10(16-11)3-4-13-6-9(7-14)5-12-13/h5-6,10,14H,3-4,7-8H2,1-2H3
InChIKeyQMROHEDKUWHIKM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.92
Rot. Bonds4

About [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol

[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol (PubChem CID 165470394) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol
PubChem CID165470394
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol
SMILESCC1(C)OCC(CCn2cc(CO)cn2)O1
InChIInChI=1S/C11H18N2O3/c1-11(2)15-8-10(16-11)3-4-13-6-9(7-14)5-12-13/h5-6,10,14H,3-4,7-8H2,1-2H3
InChIKeyQMROHEDKUWHIKM-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol (CID 165470394) is [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol is CC1(C)OCC(CCn2cc(CO)cn2)O1.
What is the InChIKey of [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol?
The InChIKey is QMROHEDKUWHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2)15-8-10(16-11)3-4-13-6-9(7-14)5-12-13/h5-6,10,14H,3-4,7-8H2,1-2H3.
What are the key properties of [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol?
[1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol has a molecular weight of 226.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 165470394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).