6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

C20H20F3N5O — CID 91891295

IUPAC6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H20F3N5O/c1-13-12-28-17(18(25-13)27-8-2-3-9-27)10-16(26-28)19(29)24-11-14-4-6-15(7-5-14)20(21,22)23/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,24,29)
InChIKeyXDZCCPPHQXXLEA-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.59
Rot. Bonds4

About 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891295) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891295
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H20F3N5O/c1-13-12-28-17(18(25-13)27-8-2-3-9-27)10-16(26-28)19(29)24-11-14-4-6-15(7-5-14)20(21,22)23/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,24,29)
InChIKeyXDZCCPPHQXXLEA-UHFFFAOYSA-N
XLogP3.59
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891295) is 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2c(N2CCCC2)n1.
What is the InChIKey of 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is XDZCCPPHQXXLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-13-12-28-17(18(25-13)27-8-2-3-9-27)10-16(26-28)19(29)24-11-14-4-6-15(7-5-14)20(21,22)23/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,24,29).
What are the key properties of 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrrolidin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).