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

C13H16F3N5 — CID 82270418

IUPAC[2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESNNc1cc(C(F)(F)F)nc2cc(C3CCCCC3)nn12
InChIInChI=1S/C13H16F3N5/c14-13(15,16)10-7-12(19-17)21-11(18-10)6-9(20-21)8-4-2-1-3-5-8/h6-8,19H,1-5,17H2
InChIKeyFUQICMCLFBHSRO-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.08
Rot. Bonds2

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

[2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (PubChem CID 82270418) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
PubChem CID82270418
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name[2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
SMILESNNc1cc(C(F)(F)F)nc2cc(C3CCCCC3)nn12
InChIInChI=1S/C13H16F3N5/c14-13(15,16)10-7-12(19-17)21-11(18-10)6-9(20-21)8-4-2-1-3-5-8/h6-8,19H,1-5,17H2
InChIKeyFUQICMCLFBHSRO-UHFFFAOYSA-N
XLogP3.08
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.08
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-cyclobutyl-5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270323
[2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270420
N'-(2-cyclohexyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 82270660
2-cyclobutyl-5-(trifluoromethyl)pyrazolo[1,5-c]pyrimidine
CID 150292948
7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
[2-(oxolan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270442
1-[[[2-bromo-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-4-phenylcyclohexan-1-ol
CID 176715624
N-cyclopentyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429528
8-chloro-5-[4-(trifluoromethyl)cyclohexyl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 146588997
3-cyclooctyl-1-methylpyrazol-5-amine
CID 65018284
7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269835
N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821356

Frequently Asked Questions

What is the IUPAC name of [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The IUPAC name of [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine (CID 82270418) is [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine.
What is the SMILES notation for [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The canonical SMILES for [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is NNc1cc(C(F)(F)F)nc2cc(C3CCCCC3)nn12.
What is the InChIKey of [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
The InChIKey is FUQICMCLFBHSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c14-13(15,16)10-7-12(19-17)21-11(18-10)6-9(20-21)8-4-2-1-3-5-8/h6-8,19H,1-5,17H2.
What are the key properties of [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine?
[2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine has a molecular weight of 299.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclohexyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine is sourced from PubChem (CID 82270418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).