3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole

C12H14N2O2 — CID 174759475

IUPAC3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2ccc(OC)n2)c1
InChIInChI=1S/C12H14N2O2/c1-15-11-5-3-4-10(8-11)9-14-7-6-12(13-14)16-2/h3-8H,9H2,1-2H3
InChIKeyFLRPUTSEHHZXOU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.95
Rot. Bonds4

About 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole

3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole (PubChem CID 174759475) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
PubChem CID174759475
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2ccc(OC)n2)c1
InChIInChI=1S/C12H14N2O2/c1-15-11-5-3-4-10(8-11)9-14-7-6-12(13-14)16-2/h3-8H,9H2,1-2H3
InChIKeyFLRPUTSEHHZXOU-UHFFFAOYSA-N
XLogP1.95
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759422
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
(3-methoxyphenyl)methanethiol
CID 10749403
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-(2-chloroethyl)-1-[(3-methoxyphenyl)methyl]triazole
CID 62401413
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
1-[(3-methoxyphenyl)methyl]-7-methylindole
CID 123473530
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole (CID 174759475) is 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole is COc1cccc(Cn2ccc(OC)n2)c1.
What is the InChIKey of 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole?
The InChIKey is FLRPUTSEHHZXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-11-5-3-4-10(8-11)9-14-7-6-12(13-14)16-2/h3-8H,9H2,1-2H3.
What are the key properties of 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole?
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole has a molecular weight of 218.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 174759475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).