7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H14F6N6O — CID 156805549

IUPAC7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)[nH]n2c(=O)c(C(F)(F)F)cnc12
InChIInChI=1S/C19H14F6N6O/c20-18(21,22)11-1-3-12(4-2-11)29-5-7-30(8-6-29)16-13(9-26)15-27-10-14(19(23,24)25)17(32)31(15)28-16/h1-4,10,28H,5-8H2
InChIKeyJYACSYCUWRUSLD-UHFFFAOYSA-N
MW456.35 g/mol
LogP3.26
Rot. Bonds2

About 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 156805549) has the molecular formula C19H14F6N6O and a molecular weight of 456.35 g/mol. Its IUPAC name is 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID156805549
Molecular FormulaC19H14F6N6O
Molecular Weight456.35 g/mol
Exact Mass456.11
IUPAC Name7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)[nH]n2c(=O)c(C(F)(F)F)cnc12
InChIInChI=1S/C19H14F6N6O/c20-18(21,22)11-1-3-12(4-2-11)29-5-7-30(8-6-29)16-13(9-26)15-27-10-14(19(23,24)25)17(32)31(15)28-16/h1-4,10,28H,5-8H2
InChIKeyJYACSYCUWRUSLD-UHFFFAOYSA-N
XLogP3.26
TPSA80.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-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

2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163356398
6-(4-chlorophenyl)-2-[1-(4-chlorophenyl)piperidin-4-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 156805533
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 133405359
6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 58873364
5-amino-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2,3-dihydro-1H-pyrazole-4-carbonitrile
CID 156805578
5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 133358806
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine
CID 7033043
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
2-[methylsulfanyl-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]propanedinitrile
CID 156805531
1-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazine
CID 58576730

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 156805549) is 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)[nH]n2c(=O)c(C(F)(F)F)cnc12.
What is the InChIKey of 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is JYACSYCUWRUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N6O/c20-18(21,22)11-1-3-12(4-2-11)29-5-7-30(8-6-29)16-13(9-26)15-27-10-14(19(23,24)25)17(32)31(15)28-16/h1-4,10,28H,5-8H2.
What are the key properties of 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 456.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 156805549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).