1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole

C9H14N2O2 — CID 66474739

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole
SMILESc1cnn(CCC2OCCCO2)c1
InChIInChI=1S/C9H14N2O2/c1-4-10-11(5-1)6-3-9-12-7-2-8-13-9/h1,4-5,9H,2-3,6-8H2
InChIKeySARNYJKCLIPQHQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.04
Rot. Bonds3

About 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole

1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole (PubChem CID 66474739) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole
PubChem CID66474739
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole
SMILESc1cnn(CCC2OCCCO2)c1
InChIInChI=1S/C9H14N2O2/c1-4-10-11(5-1)6-3-9-12-7-2-8-13-9/h1,4-5,9H,2-3,6-8H2
InChIKeySARNYJKCLIPQHQ-UHFFFAOYSA-N
XLogP1.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
CID 151886257
2-[2-(1,3-dioxan-2-yl)ethyl]-1,3-dihydroisoindole
CID 66474126
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
1-(oxolan-2-yl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 115888839
1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium
CID 123509905
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one
CID 66472540
1-[2-(1,3-dioxan-2-yl)ethyl]pyrrole-2-carbonitrile
CID 114651386
4-[[(1R,2S,3R)-2-methyl-3-(2-pyrazol-1-ylethyl)cyclobutyl]methyl]morpholine
CID 70306839
2-methyl-1-(oxolan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111136571
3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one
CID 114760663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole (CID 66474739) is 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole is c1cnn(CCC2OCCCO2)c1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole?
The InChIKey is SARNYJKCLIPQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-10-11(5-1)6-3-9-12-7-2-8-13-9/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole?
1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole has a molecular weight of 182.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole is sourced from PubChem (CID 66474739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).