6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H21ClF3N5O — CID 24771915

IUPAC6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(NC(=O)c1cnn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12)c1ccccn1
InChIInChI=1S/C28H21ClF3N5O/c1-27(2,23-9-5-6-14-33-23)36-26(38)21-16-35-37-24(17-10-12-18(13-11-17)28(30,31)32)20(15-34-25(21)37)19-7-3-4-8-22(19)29/h3-16H,1-2H3,(H,36,38)
InChIKeyJDPUSZMTZFULDQ-UHFFFAOYSA-N
MW535.96 g/mol
LogP6.80
Rot. Bonds5

About 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24771915) has the molecular formula C28H21ClF3N5O and a molecular weight of 535.96 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24771915
Molecular FormulaC28H21ClF3N5O
Molecular Weight535.96 g/mol
Exact Mass535.14
IUPAC Name6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(NC(=O)c1cnn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12)c1ccccn1
InChIInChI=1S/C28H21ClF3N5O/c1-27(2,23-9-5-6-14-33-23)36-26(38)21-16-35-37-24(17-10-12-18(13-11-17)28(30,31)32)20(15-34-25(21)37)19-7-3-4-8-22(19)29/h3-16H,1-2H3,(H,36,38)
InChIKeyJDPUSZMTZFULDQ-UHFFFAOYSA-N
XLogP6.80
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.96
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24771915) is 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(NC(=O)c1cnn2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccccc3Cl)cnc12)c1ccccn1.
What is the InChIKey of 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JDPUSZMTZFULDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF3N5O/c1-27(2,23-9-5-6-14-33-23)36-26(38)21-16-35-37-24(17-10-12-18(13-11-17)28(30,31)32)20(15-34-25(21)37)19-7-3-4-8-22(19)29/h3-16H,1-2H3,(H,36,38).
What are the key properties of 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 535.96 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(2-pyridin-2-ylpropan-2-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24771915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).