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

C12H15BrN4O2 — CID 114163401

IUPACN-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H15BrN4O2/c1-19-8-9(13)2-3-15-12(18)10-6-16-17-5-4-14-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,15,18)
InChIKeyOSAZJAXRAJZZGR-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.26
Rot. Bonds6

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

N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 114163401) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID114163401
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC NameN-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H15BrN4O2/c1-19-8-9(13)2-3-15-12(18)10-6-16-17-5-4-14-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,15,18)
InChIKeyOSAZJAXRAJZZGR-UHFFFAOYSA-N
XLogP1.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122688
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-[2-(2-bromoethyl)pentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106118084
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 114163401) is N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is COCC(Br)CCNC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is OSAZJAXRAJZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-19-8-9(13)2-3-15-12(18)10-6-16-17-5-4-14-7-11(10)17/h4-7,9H,2-3,8H2,1H3,(H,15,18).
What are the key properties of N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 114163401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).