5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole

C8H12N2O2 — CID 134398097

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole
SMILESCC1(C)OCC(c2ccn[nH]2)O1
InChIInChI=1S/C8H12N2O2/c1-8(2)11-5-7(12-8)6-3-4-9-10-6/h3-4,7H,5H2,1-2H3,(H,9,10)
InChIKeyDCGDGELQKHMXJD-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.23
Rot. Bonds1

About 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole (PubChem CID 134398097) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole
PubChem CID134398097
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole
SMILESCC1(C)OCC(c2ccn[nH]2)O1
InChIInChI=1S/C8H12N2O2/c1-8(2)11-5-7(12-8)6-3-4-9-10-6/h3-4,7H,5H2,1-2H3,(H,9,10)
InChIKeyDCGDGELQKHMXJD-UHFFFAOYSA-N
XLogP1.23
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(oxolan-2-yl)-1H-pyrazole
CID 118097404
[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
CID 122163866
3-Trifluoro-methyl-1-ethoxymethylpyrazole
CID 134612665
Pyrazolylpyran
CID 129814505
5-(oxetan-2-yl)-1H-pyrazole
CID 163643451
3-[2-[(4-fluoro-1H-pyrazol-5-yl)methoxy]propyl]-5-(propan-2-yloxymethyl)-1H-pyrazole
CID 170601880
3-fluoro-5-(2,4,4,5-tetramethyl-1,3-dioxolan-2-yl)-1H-pyrazole
CID 175489657
5-[(4S,5S)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]-1H-pyrazole
CID 13808433
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134909973
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134909983
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134910074
(Z)-[1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ylidene]hydrazine
CID 134987202

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole (CID 134398097) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole is CC1(C)OCC(c2ccn[nH]2)O1.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole?
The InChIKey is DCGDGELQKHMXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2)11-5-7(12-8)6-3-4-9-10-6/h3-4,7H,5H2,1-2H3,(H,9,10).
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole has a molecular weight of 168.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1H-pyrazole is sourced from PubChem (CID 134398097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).