5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole

C13H13N3O — CID 58282953

IUPAC5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole
SMILESCOc1ccccc1-c1cc2n(n1)N=C(C)C2
InChIInChI=1S/C13H13N3O/c1-9-7-10-8-12(15-16(10)14-9)11-5-3-4-6-13(11)17-2/h3-6,8H,7H2,1-2H3
InChIKeyXRNVNTJZXQVNPH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.34
Rot. Bonds2

About 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole

5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole (PubChem CID 58282953) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole
PubChem CID58282953
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole
SMILESCOc1ccccc1-c1cc2n(n1)N=C(C)C2
InChIInChI=1S/C13H13N3O/c1-9-7-10-8-12(15-16(10)14-9)11-5-3-4-6-13(11)17-2/h3-6,8H,7H2,1-2H3
InChIKeyXRNVNTJZXQVNPH-UHFFFAOYSA-N
XLogP2.34
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
CID 83823686
1-ethyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 61265898
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
1-[5-amino-3-(2-methoxyphenyl)pyrazol-1-yl]propan-2-ol
CID 112751510
2-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136622086
2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71566841
N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895294

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole?
The IUPAC name of 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole (CID 58282953) is 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole?
The canonical SMILES for 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole is COc1ccccc1-c1cc2n(n1)N=C(C)C2.
What is the InChIKey of 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole?
The InChIKey is XRNVNTJZXQVNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-7-10-8-12(15-16(10)14-9)11-5-3-4-6-13(11)17-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole?
5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole has a molecular weight of 227.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole is sourced from PubChem (CID 58282953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).