1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole

C9H14F2N2O — CID 172621906

IUPAC1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole
SMILESCc1cnn(CC(C)(C)OC(F)F)c1
InChIInChI=1S/C9H14F2N2O/c1-7-4-12-13(5-7)6-9(2,3)14-8(10)11/h4-5,8H,6H2,1-3H3
InChIKeyCYPABMPSBSECHA-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole

1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole (PubChem CID 172621906) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole
PubChem CID172621906
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole
SMILESCc1cnn(CC(C)(C)OC(F)F)c1
InChIInChI=1S/C9H14F2N2O/c1-7-4-12-13(5-7)6-9(2,3)14-8(10)11/h4-5,8H,6H2,1-3H3
InChIKeyCYPABMPSBSECHA-UHFFFAOYSA-N
XLogP2.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-(trifluoromethyl)-1H-pyrazole
CID 10920680
1-Tert-butyl-4-(trifluoromethyl)pyrazole
CID 57808376
[1-(2-methoxyethyl)-1H-pyrazol-4-yl]methanamine
CID 62729144
4-methyl-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-pyrazole
CID 145874394
Tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane
CID 154722332
4-Methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]pyrazole
CID 72141397
2-(4-Methyl-1H-pyrazol-1-YL)ethanol
CID 19621864
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrazole
CID 20696771
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]amine
CID 25218861
4-(Difluoromethoxy)-1-ethylpyrazole
CID 57039471
1-(Difluoromethyl)-4-methyl-1H-pyrazole
CID 58206224
4-Methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58206225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole?
The IUPAC name of 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole (CID 172621906) is 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole?
The canonical SMILES for 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole is Cc1cnn(CC(C)(C)OC(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole?
The InChIKey is CYPABMPSBSECHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-7-4-12-13(5-7)6-9(2,3)14-8(10)11/h4-5,8H,6H2,1-3H3.
What are the key properties of 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole?
1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole has a molecular weight of 204.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-2-methylpropyl]-4-methylpyrazole is sourced from PubChem (CID 172621906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).