[2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine

C12H16F3N5 — CID 82270420

IUPAC[2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCCC(CC)c1cc2nc(C(F)(F)F)cc(NN)n2n1
InChIInChI=1S/C12H16F3N5/c1-3-7(4-2)8-5-10-17-9(12(13,14)15)6-11(18-16)20(10)19-8/h5-7,18H,3-4,16H2,1-2H3
InChIKeyUZNIRXBWHCYDQH-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.94
Rot. Bonds4

About [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine

[2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (PubChem CID 82270420) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.

Molecular Properties

Compound Name[2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
PubChem CID82270420
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name[2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESCCC(CC)c1cc2nc(C(F)(F)F)cc(NN)n2n1
InChIInChI=1S/C12H16F3N5/c1-3-7(4-2)8-5-10-17-9(12(13,14)15)6-11(18-16)20(10)19-8/h5-7,18H,3-4,16H2,1-2H3
InChIKeyUZNIRXBWHCYDQH-UHFFFAOYSA-N
XLogP2.94
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270418
N'-(5-methyl-2-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 82270760
(2-cyclobutyl-5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270323
[5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270327
5-ethyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 82270894
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
4-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
CID 176845805
3-[1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]azetidine-1-carboxamide
CID 176845817
(3R)-1-[(1R)-2-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 176845748
2-ethyl-4,6-bis(trifluoromethyl)pyridine
CID 133094723
4-[(2R)-1-[[2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2-(4-fluorophenyl)propan-2-yl]piperidine-1-carboxamide
CID 176845770
N-[(2R)-2-[1-(5-amino-1H-1,2,4-triazol-3-yl)azetidin-3-yl]-2-phenylpropyl]-2,5-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 177194286

Frequently Asked Questions

What is the IUPAC name of [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The IUPAC name of [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (CID 82270420) is [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.
What is the SMILES notation for [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The canonical SMILES for [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is CCC(CC)c1cc2nc(C(F)(F)F)cc(NN)n2n1.
What is the InChIKey of [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The InChIKey is UZNIRXBWHCYDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-3-7(4-2)8-5-10-17-9(12(13,14)15)6-11(18-16)20(10)19-8/h5-7,18H,3-4,16H2,1-2H3.
What are the key properties of [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
[2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine has a molecular weight of 287.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is sourced from PubChem (CID 82270420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).