5-(methoxymethyl)-1-phenylpyrazole

C11H12N2O — CID 13434116

IUPAC5-(methoxymethyl)-1-phenylpyrazole
SMILESCOCc1ccnn1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-14-9-11-7-8-12-13(11)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyKKIZRZLFKJOJFT-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.02
Rot. Bonds3

About 5-(methoxymethyl)-1-phenylpyrazole

5-(methoxymethyl)-1-phenylpyrazole (PubChem CID 13434116) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-phenylpyrazole
PubChem CID13434116
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-(methoxymethyl)-1-phenylpyrazole
SMILESCOCc1ccnn1-c1ccccc1
InChIInChI=1S/C11H12N2O/c1-14-9-11-7-8-12-13(11)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyKKIZRZLFKJOJFT-UHFFFAOYSA-N
XLogP2.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cizolirtine
CID 132412
2-(1-phenyl-1H-pyrazol-5-yl)ethan-1-ol
CID 59410573
5-Methyl-1-phenyl-1H-pyrazole-4-methanol
CID 2776440
Est64454
CID 54673648
Cizolirtine, (+)-
CID 3037765
Pyrazole-5-methanol, 4-(dimethylamino)-1-phenyl-
CID 210534
(1-phenyl-1H-pyrazol-3-yl)methanol
CID 47082877
[1-(3-fluorophenyl)-1H-pyrazol-3-yl]methanol
CID 47093611
[3-[[Acetyl(phenyl)hydrazinylidene]methyl]-1-phenylpyrazol-5-yl]methyl acetate
CID 2728290
methyl 1-phenyl-1H-pyrazole-3-carboxylate
CID 827522
Ethyl 1-phenyl-1H-pyrazole-3-carboxylate
CID 6424672
Ethyl 1-phenyl-1H-pyrazole-5-carboxylate
CID 6424675

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-phenylpyrazole?
The IUPAC name of 5-(methoxymethyl)-1-phenylpyrazole (CID 13434116) is 5-(methoxymethyl)-1-phenylpyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-phenylpyrazole?
The canonical SMILES for 5-(methoxymethyl)-1-phenylpyrazole is COCc1ccnn1-c1ccccc1.
What is the InChIKey of 5-(methoxymethyl)-1-phenylpyrazole?
The InChIKey is KKIZRZLFKJOJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-9-11-7-8-12-13(11)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 5-(methoxymethyl)-1-phenylpyrazole?
5-(methoxymethyl)-1-phenylpyrazole has a molecular weight of 188.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-phenylpyrazole is sourced from PubChem (CID 13434116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).