5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine

C7H11F2N3O — CID 177061670

IUPAC5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine
SMILESCc1c(COC(F)F)nn(C)c1N
InChIInChI=1S/C7H11F2N3O/c1-4-5(3-13-7(8)9)11-12(2)6(4)10/h7H,3,10H2,1-2H3
InChIKeyUHBFBQVPQYIKMC-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.05
Rot. Bonds3

About 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine

5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine (PubChem CID 177061670) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine
PubChem CID177061670
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine
SMILESCc1c(COC(F)F)nn(C)c1N
InChIInChI=1S/C7H11F2N3O/c1-4-5(3-13-7(8)9)11-12(2)6(4)10/h7H,3,10H2,1-2H3
InChIKeyUHBFBQVPQYIKMC-UHFFFAOYSA-N
XLogP1.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-(propan-2-yloxymethyl)pyrazol-3-amine
CID 177061594
2,4-dimethyl-5-nonylpyrazol-3-amine
CID 65426344
4-bromo-3-(methoxymethyl)-1-methylpyrazol-5-amine
CID 83910403
3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
CID 165492413
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524694
1,4-dimethyl-3-pyrimidin-2-ylpyrazol-5-amine
CID 114552607
5-cyclopentyl-2,4-dimethylpyrazol-3-amine
CID 43158729
5-cyclooctyl-2,4-dimethylpyrazol-3-amine
CID 65018283
3-(cyclohexylmethyl)-4-fluoro-1-methylpyrazol-5-amine
CID 165492596
3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
CID 43336628
3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine
CID 165499274

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine?
The IUPAC name of 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine (CID 177061670) is 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine?
The canonical SMILES for 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine is Cc1c(COC(F)F)nn(C)c1N.
What is the InChIKey of 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine?
The InChIKey is UHBFBQVPQYIKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-4-5(3-13-7(8)9)11-12(2)6(4)10/h7H,3,10H2,1-2H3.
What are the key properties of 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine?
5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine has a molecular weight of 191.18 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)-2,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 177061670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).