5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C11H7F3N4 — CID 843518

IUPAC5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC1CC1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#N
InChIInChI=1S/C11H7F3N4/c12-11(13,14)9-3-8(6-1-2-6)17-10-7(4-15)5-16-18(9)10/h3,5-6H,1-2H2
InChIKeyNFBFODTXEOECID-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.50
Rot. Bonds1

About 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 843518) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID843518
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC1CC1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#N
InChIInChI=1S/C11H7F3N4/c12-11(13,14)9-3-8(6-1-2-6)17-10-7(4-15)5-16-18(9)10/h3,5-6H,1-2H2
InChIKeyNFBFODTXEOECID-UHFFFAOYSA-N
XLogP1.50
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity383

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-Trifluoromethyl-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 671576
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 689154
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2736143
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
7-Amino-2-(tert-butyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819026
5-(4-Methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 754728
7-(Difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4766469
2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 230936
7-(Difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4766960
2-(Cyanomethyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2773939

Frequently Asked Questions

What is the IUPAC name of 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 843518) is 5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is C1CC1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#N.
What is the InChIKey of 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is NFBFODTXEOECID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)9-3-8(6-1-2-6)17-10-7(4-15)5-16-18(9)10/h3,5-6H,1-2H2.
What are the key properties of 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 252.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 843518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).