4-methoxy-3-(methoxymethyl)-1-phenylpyrazole

C12H14N2O2 — CID 174644530

IUPAC4-methoxy-3-(methoxymethyl)-1-phenylpyrazole
SMILESCOCc1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C12H14N2O2/c1-15-9-11-12(16-2)8-14(13-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyCKPWZYYHNZQHBX-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.03
Rot. Bonds4

About 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole

4-methoxy-3-(methoxymethyl)-1-phenylpyrazole (PubChem CID 174644530) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-methoxy-3-(methoxymethyl)-1-phenylpyrazole
PubChem CID174644530
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-methoxy-3-(methoxymethyl)-1-phenylpyrazole
SMILESCOCc1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C12H14N2O2/c1-15-9-11-12(16-2)8-14(13-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyCKPWZYYHNZQHBX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-phenylpyrazole-4-carbaldehyde;methyl 3-(methoxymethyl)-1-phenylpyrazole-4-carboxylate
CID 161466697
methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 66777683
[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole?
The IUPAC name of 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole (CID 174644530) is 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole.
What is the SMILES notation for 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole?
The canonical SMILES for 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole is COCc1nn(-c2ccccc2)cc1OC.
What is the InChIKey of 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole?
The InChIKey is CKPWZYYHNZQHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-9-11-12(16-2)8-14(13-11)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3.
What are the key properties of 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole?
4-methoxy-3-(methoxymethyl)-1-phenylpyrazole has a molecular weight of 218.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methoxymethyl)-1-phenylpyrazole is sourced from PubChem (CID 174644530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).