N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C14H13N5O2 — CID 103116298

IUPACN-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3ccncc23)cc1N
InChIInChI=1S/C14H13N5O2/c1-21-13-3-2-9(6-11(13)15)18-14(20)10-7-17-19-5-4-16-8-12(10)19/h2-8H,15H2,1H3,(H,18,20)
InChIKeyPXWYZDGOOVBKAM-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.57
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103116298) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103116298
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn3ccncc23)cc1N
InChIInChI=1S/C14H13N5O2/c1-21-13-3-2-9(6-11(13)15)18-14(20)10-7-17-19-5-4-16-8-12(10)19/h2-8H,15H2,1H3,(H,18,20)
InChIKeyPXWYZDGOOVBKAM-UHFFFAOYSA-N
XLogP1.57
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methylphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119627
N-[3-(methylaminomethyl)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120624
N-(3-amino-4-methylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115970
(2,6-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125523
N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116169
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(3-amino-4-methoxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 63851714
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(3-amino-4-methoxyphenyl)-5-methylfuran-2-carboxamide
CID 43599890
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119419635
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103116298) is N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is COc1ccc(NC(=O)c2cnn3ccncc23)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is PXWYZDGOOVBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-13-3-2-9(6-11(13)15)18-14(20)10-7-17-19-5-4-16-8-12(10)19/h2-8H,15H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103116298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).