3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole

C12H14N2O — CID 82076606

IUPAC3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
SMILESCOc1cccc(Cc2cc(C)[nH]n2)c1
InChIInChI=1S/C12H14N2O/c1-9-6-11(14-13-9)7-10-4-3-5-12(8-10)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyVDFGFNNJDIZCPW-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.32
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole

3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole (PubChem CID 82076606) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
PubChem CID82076606
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
SMILESCOc1cccc(Cc2cc(C)[nH]n2)c1
InChIInChI=1S/C12H14N2O/c1-9-6-11(14-13-9)7-10-4-3-5-12(8-10)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyVDFGFNNJDIZCPW-UHFFFAOYSA-N
XLogP2.32
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
2-[(3-methoxyphenyl)methyl]-1H-pyrrole
CID 12872045
2-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 62950738
[3-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
CID 102814719
4-bromo-6-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106594
5-bromo-2-[(3-methoxyphenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479173
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792806
N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide
CID 10959835

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole (CID 82076606) is 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole is COc1cccc(Cc2cc(C)[nH]n2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
The InChIKey is VDFGFNNJDIZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-6-11(14-13-9)7-10-4-3-5-12(8-10)15-2/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole?
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 82076606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).