1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole

C10H9F3N4 — CID 173177183

IUPAC1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2cn[nH]c2C2CC2)n1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)8-3-4-17(16-8)7-5-14-15-9(7)6-1-2-6/h3-6H,1-2H2,(H,14,15)
InChIKeyHNJPLRVGAFNSFM-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.49
Rot. Bonds2

About 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole

1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 173177183) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole
PubChem CID173177183
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(-c2cn[nH]c2C2CC2)n1
InChIInChI=1S/C10H9F3N4/c11-10(12,13)8-3-4-17(16-8)7-5-14-15-9(7)6-1-2-6/h3-6H,1-2H2,(H,14,15)
InChIKeyHNJPLRVGAFNSFM-UHFFFAOYSA-N
XLogP2.49
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole (CID 173177183) is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(-c2cn[nH]c2C2CC2)n1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is HNJPLRVGAFNSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)8-3-4-17(16-8)7-5-14-15-9(7)6-1-2-6/h3-6H,1-2H2,(H,14,15).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole?
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 242.20 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 173177183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).