N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C13H10ClN5O — CID 103116169

IUPACN-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNc1cccc(Cl)c1NC(=O)c1cnn2ccncc12
InChIInChI=1S/C13H10ClN5O/c14-9-2-1-3-10(15)12(9)18-13(20)8-6-17-19-5-4-16-7-11(8)19/h1-7H,15H2,(H,18,20)
InChIKeyCVAVQICZDYWPHU-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.22
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103116169) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103116169
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC NameN-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNc1cccc(Cl)c1NC(=O)c1cnn2ccncc12
InChIInChI=1S/C13H10ClN5O/c14-9-2-1-3-10(15)12(9)18-13(20)8-6-17-19-5-4-16-7-11(8)19/h1-7H,15H2,(H,18,20)
InChIKeyCVAVQICZDYWPHU-UHFFFAOYSA-N
XLogP2.22
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.22
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-(2-amino-5-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115950
N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116011
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
N-(3-amino-4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116298
N-(2-chloro-4-cyanophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107808178
N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421
N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 55130611
N-[3-(methylaminomethyl)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120624
N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55032492
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
4-amino-N-(2,6-dichlorophenyl)-6-methylpyridine-3-carboxamide
CID 81245380
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103116169) is N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is Nc1cccc(Cl)c1NC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is CVAVQICZDYWPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-9-2-1-3-10(15)12(9)18-13(20)8-6-17-19-5-4-16-7-11(8)19/h1-7H,15H2,(H,18,20).
What are the key properties of N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103116169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).