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

C20H23N5O2 — CID 91891281

IUPACN-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(N3CCCC3)nc(C)cn2n1
InChIInChI=1S/C20H23N5O2/c1-14-13-25-17(19(22-14)24-9-5-6-10-24)11-16(23-25)20(26)21-12-15-7-3-4-8-18(15)27-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,26)
InChIKeyXERGJQLYTMFCAP-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.58
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891281) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891281
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(N3CCCC3)nc(C)cn2n1
InChIInChI=1S/C20H23N5O2/c1-14-13-25-17(19(22-14)24-9-5-6-10-24)11-16(23-25)20(26)21-12-15-7-3-4-8-18(15)27-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,26)
InChIKeyXERGJQLYTMFCAP-UHFFFAOYSA-N
XLogP2.58
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891281) is N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccccc1CNC(=O)c1cc2c(N3CCCC3)nc(C)cn2n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is XERGJQLYTMFCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-13-25-17(19(22-14)24-9-5-6-10-24)11-16(23-25)20(26)21-12-15-7-3-4-8-18(15)27-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).