4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole

C13H16N2O — CID 154987872

IUPAC4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(C)C
InChIInChI=1S/C13H16N2O/c1-9(2)12-5-4-10(6-13(12)16-3)11-7-14-15-8-11/h4-9H,1-3H3,(H,14,15)
InChIKeyZACVEIQVPBNLLM-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds3

About 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole

4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole (PubChem CID 154987872) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole
PubChem CID154987872
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(C)C
InChIInChI=1S/C13H16N2O/c1-9(2)12-5-4-10(6-13(12)16-3)11-7-14-15-8-11/h4-9H,1-3H3,(H,14,15)
InChIKeyZACVEIQVPBNLLM-UHFFFAOYSA-N
XLogP3.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-methoxy-4-propan-2-ylphenyl)-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

4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
4-(3-methoxy-4-propan-2-ylphenyl)pyridine
CID 177192747
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663050
5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037
5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol
CID 162772442

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole?
The IUPAC name of 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole (CID 154987872) is 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole is COc1cc(-c2cn[nH]c2)ccc1C(C)C.
What is the InChIKey of 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole?
The InChIKey is ZACVEIQVPBNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)12-5-4-10(6-13(12)16-3)11-7-14-15-8-11/h4-9H,1-3H3,(H,14,15).
What are the key properties of 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole?
4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole has a molecular weight of 216.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole is sourced from PubChem (CID 154987872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).