4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole

C8H12F2N2 — CID 163735321

IUPAC4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole
SMILESCC(C)C(F)(F)c1cnn(C)c1
InChIInChI=1S/C8H12F2N2/c1-6(2)8(9,10)7-4-11-12(3)5-7/h4-6H,1-3H3
InChIKeyNSMACHBPTBUSKO-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.17
Rot. Bonds2

About 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole

4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole (PubChem CID 163735321) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole
PubChem CID163735321
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole
SMILESCC(C)C(F)(F)c1cnn(C)c1
InChIInChI=1S/C8H12F2N2/c1-6(2)8(9,10)7-4-11-12(3)5-7/h4-6H,1-3H3
InChIKeyNSMACHBPTBUSKO-UHFFFAOYSA-N
XLogP2.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole?
The IUPAC name of 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole (CID 163735321) is 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole.
What is the SMILES notation for 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole?
The canonical SMILES for 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole is CC(C)C(F)(F)c1cnn(C)c1.
What is the InChIKey of 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole?
The InChIKey is NSMACHBPTBUSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-6(2)8(9,10)7-4-11-12(3)5-7/h4-6H,1-3H3.
What are the key properties of 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole?
4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole has a molecular weight of 174.19 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methylpropyl)-1-methylpyrazole is sourced from PubChem (CID 163735321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).