3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde

C11H16N2O2 — CID 62726703

IUPAC3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
SMILESCc1nn(CC2CCOC2)c(C)c1C=O
InChIInChI=1S/C11H16N2O2/c1-8-11(6-14)9(2)13(12-8)5-10-3-4-15-7-10/h6,10H,3-5,7H2,1-2H3
InChIKeyMLAPZYZNPCDWCB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.35
Rot. Bonds3

About 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde

3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde (PubChem CID 62726703) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
PubChem CID62726703
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
SMILESCc1nn(CC2CCOC2)c(C)c1C=O
InChIInChI=1S/C11H16N2O2/c1-8-11(6-14)9(2)13(12-8)5-10-3-4-15-7-10/h6,10H,3-5,7H2,1-2H3
InChIKeyMLAPZYZNPCDWCB-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 62731172
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
CID 62729993
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62731903
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754607
2-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]acetic acid
CID 62386249
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxylic acid
CID 55065971
5-amino-3-methyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbonitrile
CID 75380519
5-bromo-4-methyl-1-(oxolan-3-ylmethyl)triazole
CID 123205395
3,5-dimethyl-1-propylpyrazole-4-carbaldehyde
CID 6486756
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]ethanol
CID 55108887
4-iodo-3,5-dimethyl-1-[2-(oxolan-3-yl)ethyl]pyrazole
CID 130794519

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde (CID 62726703) is 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde is Cc1nn(CC2CCOC2)c(C)c1C=O.
What is the InChIKey of 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde?
The InChIKey is MLAPZYZNPCDWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-11(6-14)9(2)13(12-8)5-10-3-4-15-7-10/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde?
3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 62726703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).