5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole

C10H9F3N2 — CID 121211730

IUPAC5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole
SMILESC#CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H9F3N2/c1-2-5-15-8(7-3-4-7)6-9(14-15)10(11,12)13/h1,6-7H,3-5H2
InChIKeyTULKVHFJWZEACU-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.41
Rot. Bonds2

About 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole

5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole (PubChem CID 121211730) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole
PubChem CID121211730
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole
SMILESC#CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C10H9F3N2/c1-2-5-15-8(7-3-4-7)6-9(14-15)10(11,12)13/h1,6-7H,3-5H2
InChIKeyTULKVHFJWZEACU-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl chloride
CID 19620718
5-cyclopropyl-1-(3-isothiocyanatopropyl)-3-(trifluoromethyl)pyrazole
CID 19620821
2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]acetonitrile
CID 121210689
2-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
CID 121210697
N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520861
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolidine-2,5-dione
CID 19585601
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
CID 71807723
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanethioamide
CID 19616581
5-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 125461577
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
methyl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 19520968
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19563954

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole (CID 121211730) is 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole is C#CCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole?
The InChIKey is TULKVHFJWZEACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-2-5-15-8(7-3-4-7)6-9(14-15)10(11,12)13/h1,6-7H,3-5H2.
What are the key properties of 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole?
5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole has a molecular weight of 214.19 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-prop-2-ynyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 121211730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).