2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole

C11H14N2O — CID 174845961

IUPAC2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole
SMILESCOc1ccc(CN2C=CCN2)cc1
InChIInChI=1S/C11H14N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-6,8,12H,7,9H2,1H3
InChIKeyVHIMEZWLPBCZNO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.53
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole

2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole (PubChem CID 174845961) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole
PubChem CID174845961
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole
SMILESCOc1ccc(CN2C=CCN2)cc1
InChIInChI=1S/C11H14N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-6,8,12H,7,9H2,1H3
InChIKeyVHIMEZWLPBCZNO-UHFFFAOYSA-N
XLogP1.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1H-pyridazine
CID 175776844
2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
CID 105458883
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol
CID 175895495
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(4-methoxyphenyl)methyl]-4-methylidenepiperidine
CID 10656409
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
1-[(4-methoxyphenyl)methyl]-7-methyl-2,3,4,7-tetrahydroazepine
CID 102449959
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
1,3,5-tris[(4-methoxyphenyl)methyl]triazinane
CID 69010475
(4S)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-thiadiazolidine
CID 145440473
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole (CID 174845961) is 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole is COc1ccc(CN2C=CCN2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole?
The InChIKey is VHIMEZWLPBCZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-11-5-3-10(4-6-11)9-13-8-2-7-12-13/h2-6,8,12H,7,9H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole?
2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole has a molecular weight of 190.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole is sourced from PubChem (CID 174845961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).