1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole

C9H13F3N2 — CID 20664188

IUPAC1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-4-14-8(9(10,11)12)5-7(13-14)6(2)3/h5-6H,4H2,1-3H3
InChIKeyHYRHWUNXLWBUMP-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.05
Rot. Bonds2

About 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole

1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 20664188) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID20664188
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-4-14-8(9(10,11)12)5-7(13-14)6(2)3/h5-6H,4H2,1-3H3
InChIKeyHYRHWUNXLWBUMP-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 20664188) is 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole is CCn1nc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is HYRHWUNXLWBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-4-14-8(9(10,11)12)5-7(13-14)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 206.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 20664188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).