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

C11H13ClN4O — CID 103122603

IUPACN-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(Cl)CCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13ClN4O/c1-8(12)2-3-14-11(17)9-6-15-16-5-4-13-7-10(9)16/h4-8H,2-3H2,1H3,(H,14,17)
InChIKeyYZADBFVQUGEOPS-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.48
Rot. Bonds4

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

N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103122603) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103122603
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC NameN-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(Cl)CCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13ClN4O/c1-8(12)2-3-14-11(17)9-6-15-16-5-4-13-7-10(9)16/h4-8H,2-3H2,1H3,(H,14,17)
InChIKeyYZADBFVQUGEOPS-UHFFFAOYSA-N
XLogP1.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250
N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
N-[3-(cyclopropylamino)propyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120602
N-[2-(2-bromoethyl)pentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106118084
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103122603) is N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(Cl)CCNC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is YZADBFVQUGEOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-8(12)2-3-14-11(17)9-6-15-16-5-4-13-7-10(9)16/h4-8H,2-3H2,1H3,(H,14,17).
What are the key properties of N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 252.71 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103122603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).