1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole

C14H18N2O2 — CID 658725

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole
SMILESCOc1ccc(Cn2nc(C)cc2C)cc1OC
InChIInChI=1S/C14H18N2O2/c1-10-7-11(2)16(15-10)9-12-5-6-13(17-3)14(8-12)18-4/h5-8H,9H2,1-4H3
InChIKeyCIYDNTGSCGFZQS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole

1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole (PubChem CID 658725) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole
PubChem CID658725
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole
SMILESCOc1ccc(Cn2nc(C)cc2C)cc1OC
InChIInChI=1S/C14H18N2O2/c1-10-7-11(2)16(15-10)9-12-5-6-13(17-3)14(8-12)18-4/h5-8H,9H2,1-4H3
InChIKeyCIYDNTGSCGFZQS-UHFFFAOYSA-N
XLogP2.57
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole (CID 658725) is 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole is COc1ccc(Cn2nc(C)cc2C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole?
The InChIKey is CIYDNTGSCGFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-7-11(2)16(15-10)9-12-5-6-13(17-3)14(8-12)18-4/h5-8H,9H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole?
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole has a molecular weight of 246.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 658725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).