1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole

C14H18N2O2 — CID 71098390

IUPAC1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole
SMILESCOc1ccc(-n2cc(C(C)C)cn2)cc1OC
InChIInChI=1S/C14H18N2O2/c1-10(2)11-8-15-16(9-11)12-5-6-13(17-3)14(7-12)18-4/h5-10H,1-4H3
InChIKeyHQIVYRDIIQLIRD-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.01
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole

1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole (PubChem CID 71098390) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole
PubChem CID71098390
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole
SMILESCOc1ccc(-n2cc(C(C)C)cn2)cc1OC
InChIInChI=1S/C14H18N2O2/c1-10(2)11-8-15-16(9-11)12-5-6-13(17-3)14(7-12)18-4/h5-10H,1-4H3
InChIKeyHQIVYRDIIQLIRD-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole (CID 71098390) is 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole is COc1ccc(-n2cc(C(C)C)cn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole?
The InChIKey is HQIVYRDIIQLIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)11-8-15-16(9-11)12-5-6-13(17-3)14(7-12)18-4/h5-10H,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole?
1-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrazole has a molecular weight of 246.31 g/mol, XLogP of 3.01, 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)-4-propan-2-ylpyrazole is sourced from PubChem (CID 71098390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).