1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole

C11H10F2N2O — CID 174835296

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
SMILESFC(F)Oc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H10F2N2O/c12-11(13)16-10-4-2-9(3-5-10)8-15-7-1-6-14-15/h1-7,11H,8H2
InChIKeyVECVFCTYAQSYOU-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.53
Rot. Bonds4

About 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole

1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole (PubChem CID 174835296) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
PubChem CID174835296
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
SMILESFC(F)Oc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H10F2N2O/c12-11(13)16-10-4-2-9(3-5-10)8-15-7-1-6-14-15/h1-7,11H,8H2
InChIKeyVECVFCTYAQSYOU-UHFFFAOYSA-N
XLogP2.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708669
N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
CID 47175480
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646805
N-[[4-(difluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 79090183
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
CID 3698707
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
CID 175294474

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole (CID 174835296) is 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole is FC(F)Oc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole?
The InChIKey is VECVFCTYAQSYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-11(13)16-10-4-2-9(3-5-10)8-15-7-1-6-14-15/h1-7,11H,8H2.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole?
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole has a molecular weight of 224.21 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole is sourced from PubChem (CID 174835296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).