N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C20H22FN5O — CID 91891297

IUPACN-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NC(C)c3ccc(F)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H22FN5O/c1-13-12-26-18(19(22-13)25-9-3-4-10-25)11-17(24-26)20(27)23-14(2)15-5-7-16(21)8-6-15/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,23,27)
InChIKeyCWVGPNACEYLZSY-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891297) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891297
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NC(C)c3ccc(F)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H22FN5O/c1-13-12-26-18(19(22-13)25-9-3-4-10-25)11-17(24-26)20(27)23-14(2)15-5-7-16(21)8-6-15/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,23,27)
InChIKeyCWVGPNACEYLZSY-UHFFFAOYSA-N
XLogP3.27
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891297) is N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NC(C)c3ccc(F)cc3)cc2c(N2CCCC2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is CWVGPNACEYLZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-13-12-26-18(19(22-13)25-9-3-4-10-25)11-17(24-26)20(27)23-14(2)15-5-7-16(21)8-6-15/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).