3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole

C14H18N2O — CID 170591096

IUPAC3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
SMILESCOc1ccc(C(C)C)cc1-c1ccn(C)n1
InChIInChI=1S/C14H18N2O/c1-10(2)11-5-6-14(17-4)12(9-11)13-7-8-16(3)15-13/h5-10H,1-4H3
InChIKeyFNWCHYKJDLYAFH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.22
Rot. Bonds3

About 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole

3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole (PubChem CID 170591096) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
PubChem CID170591096
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
SMILESCOc1ccc(C(C)C)cc1-c1ccn(C)n1
InChIInChI=1S/C14H18N2O/c1-10(2)11-5-6-14(17-4)12(9-11)13-7-8-16(3)15-13/h5-10H,1-4H3
InChIKeyFNWCHYKJDLYAFH-UHFFFAOYSA-N
XLogP3.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761434
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82484705
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
6-(2-methoxy-4-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
CID 116854271
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
4-(2-methoxy-5-propan-2-ylphenyl)thiophen-2-amine
CID 82130986
(2S)-2-[4-(2-methoxy-5-propan-2-ylphenyl)triazol-1-yl]-3-methylbutanamide
CID 72915347
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole?
The IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole (CID 170591096) is 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole?
The canonical SMILES for 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole is COc1ccc(C(C)C)cc1-c1ccn(C)n1.
What is the InChIKey of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole?
The InChIKey is FNWCHYKJDLYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)11-5-6-14(17-4)12(9-11)13-7-8-16(3)15-13/h5-10H,1-4H3.
What are the key properties of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole?
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole is sourced from PubChem (CID 170591096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).