(5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H27F3N6O — CID 135963582

IUPAC(5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@H](C)c3c(C)nn(CC)c3C)cc2N1
InChIInChI=1S/C19H27F3N6O/c1-6-13-8-15(19(20,21)22)28-16(24-13)9-14(26-28)18(29)23-10(3)17-11(4)25-27(7-2)12(17)5/h9-10,13,15,24H,6-8H2,1-5H3,(H,23,29)/t10-,13-,15-/m1/s1
InChIKeyRXQAOVSCWNIUNF-WDBKCZKBSA-N
MW412.46 g/mol
LogP3.90
Rot. Bonds5

About (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 135963582) has the molecular formula C19H27F3N6O and a molecular weight of 412.46 g/mol. Its IUPAC name is (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID135963582
Molecular FormulaC19H27F3N6O
Molecular Weight412.46 g/mol
Exact Mass412.22
IUPAC Name(5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@H](C)c3c(C)nn(CC)c3C)cc2N1
InChIInChI=1S/C19H27F3N6O/c1-6-13-8-15(19(20,21)22)28-16(24-13)9-14(26-28)18(29)23-10(3)17-11(4)25-27(7-2)12(17)5/h9-10,13,15,24H,6-8H2,1-5H3,(H,23,29)/t10-,13-,15-/m1/s1
InChIKeyRXQAOVSCWNIUNF-WDBKCZKBSA-N
XLogP3.90
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 135963582) is (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@H](C)c3c(C)nn(CC)c3C)cc2N1.
What is the InChIKey of (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RXQAOVSCWNIUNF-WDBKCZKBSA-N. The full InChI is InChI=1S/C19H27F3N6O/c1-6-13-8-15(19(20,21)22)28-16(24-13)9-14(26-28)18(29)23-10(3)17-11(4)25-27(7-2)12(17)5/h9-10,13,15,24H,6-8H2,1-5H3,(H,23,29)/t10-,13-,15-/m1/s1.
What are the key properties of (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-ethyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135963582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).