N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C13H17F3N4 — CID 134863351

IUPACN-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCCCCNc1cc(C(F)(F)F)n2nccc2n1
InChIInChI=1S/C13H17F3N4/c1-2-3-4-5-7-17-11-9-10(13(14,15)16)20-12(19-11)6-8-18-20/h6,8-9H,2-5,7H2,1H3,(H,17,19)
InChIKeyAHGBPBZGIRGCJW-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.74
Rot. Bonds6

About N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 134863351) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID134863351
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC NameN-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCCCCNc1cc(C(F)(F)F)n2nccc2n1
InChIInChI=1S/C13H17F3N4/c1-2-3-4-5-7-17-11-9-10(13(14,15)16)20-12(19-11)6-8-18-20/h6,8-9H,2-5,7H2,1H3,(H,17,19)
InChIKeyAHGBPBZGIRGCJW-UHFFFAOYSA-N
XLogP3.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958
7-Methylpyrazolo(1,5-a)pyrimidine
CID 12581393
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 117817560
6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 117817582
7-Amino-5-n-butylpyrazolo[1,5-a]pyrimidine
CID 19709702

Frequently Asked Questions

What is the IUPAC name of N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 134863351) is N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine is CCCCCCNc1cc(C(F)(F)F)n2nccc2n1.
What is the InChIKey of N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is AHGBPBZGIRGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-2-3-4-5-7-17-11-9-10(13(14,15)16)20-12(19-11)6-8-18-20/h6,8-9H,2-5,7H2,1H3,(H,17,19).
What are the key properties of N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 286.30 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 134863351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).