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

C11H13ClN4O — CID 106845452

IUPACN-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCCCCl)c1cnn2ccncc12
InChIInChI=1S/C11H13ClN4O/c12-3-1-2-4-14-11(17)9-7-15-16-6-5-13-8-10(9)16/h5-8H,1-4H2,(H,14,17)
InChIKeyZZGKIMHQMLRKSE-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.48
Rot. Bonds5

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

N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 106845452) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID106845452
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC NameN-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCCCCCl)c1cnn2ccncc12
InChIInChI=1S/C11H13ClN4O/c12-3-1-2-4-14-11(17)9-7-15-16-6-5-13-8-10(9)16/h5-8H,1-4H2,(H,14,17)
InChIKeyZZGKIMHQMLRKSE-UHFFFAOYSA-N
XLogP1.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
N-(5-chloropentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107320901
N-[3-(cyclopropylamino)propyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120602
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122348
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120438
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 106845452) is N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is O=C(NCCCCCl)c1cnn2ccncc12.
What is the InChIKey of N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ZZGKIMHQMLRKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-3-1-2-4-14-11(17)9-7-15-16-6-5-13-8-10(9)16/h5-8H,1-4H2,(H,14,17).
What are the key properties of N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 106845452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).