5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C20H21F6N7O4 — CID 134263270

IUPAC5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4O)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20F3N7O2.C2HF3O2/c1-27-9-12(15(26-27)18(19,20)21)24-17(30)10-8-22-28-7-6-14(25-16(10)28)23-11-4-2-3-5-13(11)29;3-2(4,5)1(6)7/h6-9,11,13,29H,2-5H2,1H3,(H,23,25)(H,24,30);(H,6,7)/t11-,13+;/m0./s1
InChIKeyWIGMXTCGLGVBDC-STEACBGWSA-N
MW537.42 g/mol
LogP3.08
Rot. Bonds4

About 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 134263270) has the molecular formula C20H21F6N7O4 and a molecular weight of 537.42 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID134263270
Molecular FormulaC20H21F6N7O4
Molecular Weight537.42 g/mol
Exact Mass537.16
IUPAC Name5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4O)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20F3N7O2.C2HF3O2/c1-27-9-12(15(26-27)18(19,20)21)24-17(30)10-8-22-28-7-6-14(25-16(10)28)23-11-4-2-3-5-13(11)29;3-2(4,5)1(6)7/h6-9,11,13,29H,2-5H2,1H3,(H,23,25)(H,24,30);(H,6,7)/t11-,13+;/m0./s1
InChIKeyWIGMXTCGLGVBDC-STEACBGWSA-N
XLogP3.08
TPSA146.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.42
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181674
5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196169
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196173
5-[[(3R)-azepan-3-yl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196177
US10329294, Example 90
CID 122516506
5-[[(1R,2S)-2-Aminocyclohexyl]amino]-N-[1-methyl-3-(perfluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181632

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 134263270) is 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4O)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WIGMXTCGLGVBDC-STEACBGWSA-N. The full InChI is InChI=1S/C18H20F3N7O2.C2HF3O2/c1-27-9-12(15(26-27)18(19,20)21)24-17(30)10-8-22-28-7-6-14(25-16(10)28)23-11-4-2-3-5-13(11)29;3-2(4,5)1(6)7/h6-9,11,13,29H,2-5H2,1H3,(H,23,25)(H,24,30);(H,6,7)/t11-,13+;/m0./s1.
What are the key properties of 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 537.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-hydroxycyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134263270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).