4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine

C7H6F3N3 — CID 91311047

IUPAC4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)N1C=CCn2nccc21
InChIInChI=1S/C7H6F3N3/c8-7(9,10)12-4-1-5-13-6(12)2-3-11-13/h1-4H,5H2
InChIKeyYITTZSXZKUYQSL-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.74
Rot. Bonds

About 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine

4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine (PubChem CID 91311047) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine
PubChem CID91311047
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)N1C=CCn2nccc21
InChIInChI=1S/C7H6F3N3/c8-7(9,10)12-4-1-5-13-6(12)2-3-11-13/h1-4H,5H2
InChIKeyYITTZSXZKUYQSL-UHFFFAOYSA-N
XLogP1.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622830
1-(2-fluoroethyl)-1H-pyrazol-5-amine
CID 21904553
1-(2,2-difluoroethyl)-1H-pyrazol-5-amine
CID 25247695
4-Methylpyrazolo[1,5-a]pyrimidine-7-thione
CID 12726141
4-Ethylpyrazolo[1,5-a]pyrimidine-7-thione
CID 12726142
1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine hydrochloride
CID 131637690
N'-(2-ethylpyrazol-3-yl)-N,N-dimethylmethanimidamide
CID 10855859
6,7-Dihydropyrazolo[1,5-a]pyrimidine
CID 54051621
3H-imidazo[1,2-b]pyrazole
CID 67342199
4,7-Dihydropyrazolo[1,5-a]pyrimidine
CID 135745164
1-(3,3,3-Trifluoropropyl)-1H-pyrazol-5-amine
CID 50896542

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine (CID 91311047) is 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine is FC(F)(F)N1C=CCn2nccc21.
What is the InChIKey of 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is YITTZSXZKUYQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)12-4-1-5-13-6(12)2-3-11-13/h1-4H,5H2.
What are the key properties of 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine?
4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 189.14 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91311047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).