N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

C15H15N5O — CID 103116011

IUPACN-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(NC(=O)c1cnn2ccncc12)c1ccccc1N
InChIInChI=1S/C15H15N5O/c1-10(11-4-2-3-5-13(11)16)19-15(21)12-8-18-20-7-6-17-9-14(12)20/h2-10H,16H2,1H3,(H,19,21)
InChIKeySGIGPVPWFAMRME-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.80
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103116011) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103116011
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(NC(=O)c1cnn2ccncc12)c1ccccc1N
InChIInChI=1S/C15H15N5O/c1-10(11-4-2-3-5-13(11)16)19-15(21)12-8-18-20-7-6-17-9-14(12)20/h2-10H,16H2,1H3,(H,19,21)
InChIKeySGIGPVPWFAMRME-UHFFFAOYSA-N
XLogP1.80
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
CID 103121176
N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891
N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115859
N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116169
N-(1-hydroxybutan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120076
N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
CID 62829021
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116298
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 107823505

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103116011) is N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(NC(=O)c1cnn2ccncc12)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is SGIGPVPWFAMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(11-4-2-3-5-13(11)16)19-15(21)12-8-18-20-7-6-17-9-14(12)20/h2-10H,16H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103116011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).