5-(2,5-dimethoxyphenyl)-1H-pyrazole

C11H12N2O2 — CID 18801454

IUPAC5-(2,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2ccn[nH]2)c1
InChIInChI=1S/C11H12N2O2/c1-14-8-3-4-11(15-2)9(7-8)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13)
InChIKeyJEFGLUGSZPRTEJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.09
Rot. Bonds3

About 5-(2,5-dimethoxyphenyl)-1H-pyrazole

5-(2,5-dimethoxyphenyl)-1H-pyrazole (PubChem CID 18801454) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-1H-pyrazole
PubChem CID18801454
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(2,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(OC)c(-c2ccn[nH]2)c1
InChIInChI=1S/C11H12N2O2/c1-14-8-3-4-11(15-2)9(7-8)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13)
InChIKeyJEFGLUGSZPRTEJ-UHFFFAOYSA-N
XLogP2.09
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9877511
o-(1H-pyrazol-3-yl)phenol
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5-(4-phenoxyphenyl)-1H-pyrazole
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5-Methoxy-1H-indazole
CID 13346860
3-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 3240675
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
5-(6-methoxy-2-naphthyl)-1H-pyrazole
CID 2740829
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
(E)-N'-(2,5-dimethoxybenzylidene)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
CID 6888521
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-1H-pyrazole (CID 18801454) is 5-(2,5-dimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-1H-pyrazole is COc1ccc(OC)c(-c2ccn[nH]2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-1H-pyrazole?
The InChIKey is JEFGLUGSZPRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-14-8-3-4-11(15-2)9(7-8)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13).
What are the key properties of 5-(2,5-dimethoxyphenyl)-1H-pyrazole?
5-(2,5-dimethoxyphenyl)-1H-pyrazole has a molecular weight of 204.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 18801454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).