5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H10ClF6N5 — CID 58812713

IUPAC5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(Cc1c(-c2ncccc2C(F)(F)F)c(Cl)nc2c(C#N)cnn12)C(F)(F)F
InChIInChI=1S/C17H10ClF6N5/c1-8(16(19,20)21)5-11-12(13-10(17(22,23)24)3-2-4-26-13)14(18)28-15-9(6-25)7-27-29(11)15/h2-4,7-8H,5H2,1H3
InChIKeyUNAAANNFJXPSSH-UHFFFAOYSA-N
MW433.74 g/mol
LogP5.08
Rot. Bonds3

About 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 58812713) has the molecular formula C17H10ClF6N5 and a molecular weight of 433.74 g/mol. Its IUPAC name is 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID58812713
Molecular FormulaC17H10ClF6N5
Molecular Weight433.74 g/mol
Exact Mass433.05
IUPAC Name5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(Cc1c(-c2ncccc2C(F)(F)F)c(Cl)nc2c(C#N)cnn12)C(F)(F)F
InChIInChI=1S/C17H10ClF6N5/c1-8(16(19,20)21)5-11-12(13-10(17(22,23)24)3-2-4-26-13)14(18)28-15-9(6-25)7-27-29(11)15/h2-4,7-8H,5H2,1H3
InChIKeyUNAAANNFJXPSSH-UHFFFAOYSA-N
XLogP5.08
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.74
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile 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

5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 11653355
5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514531
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514541
5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514536
5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 58630276
7-methyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3,5-dicarbonitrile
CID 25022674
7-[4-(trifluoromethyl)anilino]-3-[3-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-b]pyridazine-5-carbonitrile
CID 87839886
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
2-[5-(methoxymethoxy)-2-pyridinyl]-3-(trifluoromethyl)pyridine
CID 59737829
2,3-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 141108542
7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 84660602
7-chloro-5-methyl-6-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82274397

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 58812713) is 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(Cc1c(-c2ncccc2C(F)(F)F)c(Cl)nc2c(C#N)cnn12)C(F)(F)F.
What is the InChIKey of 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UNAAANNFJXPSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF6N5/c1-8(16(19,20)21)5-11-12(13-10(17(22,23)24)3-2-4-26-13)14(18)28-15-9(6-25)7-27-29(11)15/h2-4,7-8H,5H2,1H3.
What are the key properties of 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 433.74 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3,3,3-trifluoro-2-methylpropyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 58812713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).