4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole

C9H13F3N2 — CID 163580256

IUPAC4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole
SMILESCC(C)[C@@H](C)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C9H13F3N2/c1-6(2)7(3)8-4-13-14(5-8)9(10,11)12/h4-7H,1-3H3/t7-/m1/s1
InChIKeyGGYMUFGJZAOXDY-SSDOTTSWSA-N
MW206.21 g/mol
LogP3.12
Rot. Bonds2

About 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole

4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole (PubChem CID 163580256) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole
PubChem CID163580256
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole
SMILESCC(C)[C@@H](C)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C9H13F3N2/c1-6(2)7(3)8-4-13-14(5-8)9(10,11)12/h4-7H,1-3H3/t7-/m1/s1
InChIKeyGGYMUFGJZAOXDY-SSDOTTSWSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.12
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-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole?
The IUPAC name of 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole (CID 163580256) is 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole is CC(C)[C@@H](C)c1cnn(C(F)(F)F)c1.
What is the InChIKey of 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole?
The InChIKey is GGYMUFGJZAOXDY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-6(2)7(3)8-4-13-14(5-8)9(10,11)12/h4-7H,1-3H3/t7-/m1/s1.
What are the key properties of 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole?
4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole has a molecular weight of 206.21 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 163580256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).