N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H17F3N4 — CID 141150483

IUPACN,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1c(CCCCC(F)=C(F)F)cnc2ccnn12
InChIInChI=1S/C14H17F3N4/c1-20(2)14-10(5-3-4-6-11(15)13(16)17)9-18-12-7-8-19-21(12)14/h7-9H,3-6H2,1-2H3
InChIKeyCWFSVIDVFNKUMY-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.59
Rot. Bonds6

About N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine

N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 141150483) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID141150483
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(C)c1c(CCCCC(F)=C(F)F)cnc2ccnn12
InChIInChI=1S/C14H17F3N4/c1-20(2)14-10(5-3-4-6-11(15)13(16)17)9-18-12-7-8-19-21(12)14/h7-9H,3-6H2,1-2H3
InChIKeyCWFSVIDVFNKUMY-UHFFFAOYSA-N
XLogP3.59
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 75201524
5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
Dipropylpyrazolo[1,5-a]pyrimidine
CID 69976662
7-Isopentyl-5-trifluoromethylpyrazolo[1,5-a]pyrimidine
CID 20324949
2-Tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 23244369
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
5-Sec-butyl-n4, n4-diethyl-2-(1h-pyrazol-1-yl)-n6-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 69254965
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
2-Piperazin-1-yl-3-(1,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811449
2-Piperazin-1-yl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811450
N'-[3-(3-butyl-5-fluoro-5-methylcyclooctyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-piperidin-4-ylethane-1,2-diamine
CID 123822958

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 141150483) is N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine is CN(C)c1c(CCCCC(F)=C(F)F)cnc2ccnn12.
What is the InChIKey of N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CWFSVIDVFNKUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-20(2)14-10(5-3-4-6-11(15)13(16)17)9-18-12-7-8-19-21(12)14/h7-9H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 141150483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).