N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23F3N4O — CID 2884120

IUPACN-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)17-11-16(13-7-3-1-4-8-13)26-18-15(12-24-27(17)18)19(28)25-14-9-5-2-6-10-14/h1,3-4,7-8,12,14,16-17,26H,2,5-6,9-11H2,(H,25,28)
InChIKeyNPYPPDWCUIABSE-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.61
Rot. Bonds3

About N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2884120) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2884120
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC NameN-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)17-11-16(13-7-3-1-4-8-13)26-18-15(12-24-27(17)18)19(28)25-14-9-5-2-6-10-14/h1,3-4,7-8,12,14,16-17,26H,2,5-6,9-11H2,(H,25,28)
InChIKeyNPYPPDWCUIABSE-UHFFFAOYSA-N
XLogP4.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2884120) is N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCCC1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F.
What is the InChIKey of N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NPYPPDWCUIABSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c21-20(22,23)17-11-16(13-7-3-1-4-8-13)26-18-15(12-24-27(17)18)19(28)25-14-9-5-2-6-10-14/h1,3-4,7-8,12,14,16-17,26H,2,5-6,9-11H2,(H,25,28).
What are the key properties of N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2884120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).