7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide

C8H10F3N5O — CID 135851201

IUPAC7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESNNC(=O)c1cc2n(n1)C(C(F)(F)F)CCN2
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)5-1-2-13-6-3-4(7(17)14-12)15-16(5)6/h3,5,13H,1-2,12H2,(H,14,17)
InChIKeyUKFWUSWHUAMCLL-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.41
Rot. Bonds1

About 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide

7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide (PubChem CID 135851201) has the molecular formula C8H10F3N5O and a molecular weight of 249.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide
PubChem CID135851201
Molecular FormulaC8H10F3N5O
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide
SMILESNNC(=O)c1cc2n(n1)C(C(F)(F)F)CCN2
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)5-1-2-13-6-3-4(7(17)14-12)15-16(5)6/h3,5,13H,1-2,12H2,(H,14,17)
InChIKeyUKFWUSWHUAMCLL-UHFFFAOYSA-N
XLogP0.41
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide?
The IUPAC name of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide (CID 135851201) is 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide.
What is the SMILES notation for 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide?
The canonical SMILES for 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide is NNC(=O)c1cc2n(n1)C(C(F)(F)F)CCN2.
What is the InChIKey of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide?
The InChIKey is UKFWUSWHUAMCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O/c9-8(10,11)5-1-2-13-6-3-4(7(17)14-12)15-16(5)6/h3,5,13H,1-2,12H2,(H,14,17).
What are the key properties of 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide?
7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide has a molecular weight of 249.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 135851201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).