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

C19H20FN5O — CID 91891288

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3ccc(F)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C19H20FN5O/c1-13-12-25-17(18(22-13)24-8-2-3-9-24)10-16(23-25)19(26)21-11-14-4-6-15(20)7-5-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,21,26)
InChIKeyNHYCCSHJOREERL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.71
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891288) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891288
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3ccc(F)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C19H20FN5O/c1-13-12-25-17(18(22-13)24-8-2-3-9-24)10-16(23-25)19(26)21-11-14-4-6-15(20)7-5-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,21,26)
InChIKeyNHYCCSHJOREERL-UHFFFAOYSA-N
XLogP2.71
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891288) is N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCc3ccc(F)cc3)cc2c(N2CCCC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NHYCCSHJOREERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-13-12-25-17(18(22-13)24-8-2-3-9-24)10-16(23-25)19(26)21-11-14-4-6-15(20)7-5-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,21,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).