3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole

C11H14N2O — CID 170590289

IUPAC3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole
SMILESCC1NNC=C1OCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-9-11(7-12-13-9)14-8-10-5-3-2-4-6-10/h2-7,9,12-13H,8H2,1H3
InChIKeyRVVSMTPRQWUTFC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole

3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole (PubChem CID 170590289) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole
PubChem CID170590289
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole
SMILESCC1NNC=C1OCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-9-11(7-12-13-9)14-8-10-5-3-2-4-6-10/h2-7,9,12-13H,8H2,1H3
InChIKeyRVVSMTPRQWUTFC-UHFFFAOYSA-N
XLogP1.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole (CID 170590289) is 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole is CC1NNC=C1OCc1ccccc1.
What is the InChIKey of 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole?
The InChIKey is RVVSMTPRQWUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-11(7-12-13-9)14-8-10-5-3-2-4-6-10/h2-7,9,12-13H,8H2,1H3.
What are the key properties of 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole?
3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole has a molecular weight of 190.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylmethoxy-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 170590289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).