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

C12H17N5O2 — CID 106243450

IUPACN-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC(N)CCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H17N5O2/c1-19-8-9(13)2-3-15-12(18)10-6-16-17-5-4-14-7-11(10)17/h4-7,9H,2-3,8,13H2,1H3,(H,15,18)
InChIKeyJQPSMLLLBIYVRB-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.18
Rot. Bonds6

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

N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 106243450) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID106243450
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC(N)CCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H17N5O2/c1-19-8-9(13)2-3-15-12(18)10-6-16-17-5-4-14-7-11(10)17/h4-7,9H,2-3,8,13H2,1H3,(H,15,18)
InChIKeyJQPSMLLLBIYVRB-UHFFFAOYSA-N
XLogP-0.18
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(2-amino-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103123058
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
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-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
CID 103121176
N-[1-[[(3-methoxy-2-methylpropanoyl)amino]methyl]cyclopentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167817041
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 106243450) is N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is COCC(N)CCNC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is JQPSMLLLBIYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-19-8-9(13)2-3-15-12(18)10-6-16-17-5-4-14-7-11(10)17/h4-7,9H,2-3,8,13H2,1H3,(H,15,18).
What are the key properties of N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 106243450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).