N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C19H21N5O2 — CID 91908325

IUPACN-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c1
InChIInChI=1S/C19H21N5O2/c1-13-12-24-17(18(20-13)23-8-3-4-9-23)11-16(22-24)19(25)21-14-6-5-7-15(10-14)26-2/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,25)
InChIKeyNCEIJMNWNURQEM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds4

About N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908325) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908325
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c1
InChIInChI=1S/C19H21N5O2/c1-13-12-24-17(18(20-13)23-8-3-4-9-23)11-16(22-24)19(25)21-14-6-5-7-15(10-14)26-2/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,25)
InChIKeyNCEIJMNWNURQEM-UHFFFAOYSA-N
XLogP2.90
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908325) is N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cccc(NC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NCEIJMNWNURQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-12-24-17(18(20-13)23-8-3-4-9-23)11-16(22-24)19(25)21-14-6-5-7-15(10-14)26-2/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).