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

C12H17N5O — CID 103115859

IUPACN-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCC(CCN)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H17N5O/c1-2-9(3-4-13)16-12(18)10-7-15-17-6-5-14-8-11(10)17/h5-9H,2-4,13H2,1H3,(H,16,18)
InChIKeyUMBGCEJKOLPCMB-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.59
Rot. Bonds5

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

N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103115859) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103115859
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCC(CCN)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H17N5O/c1-2-9(3-4-13)16-12(18)10-7-15-17-6-5-14-8-11(10)17/h5-9H,2-4,13H2,1H3,(H,16,18)
InChIKeyUMBGCEJKOLPCMB-UHFFFAOYSA-N
XLogP0.59
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120076
N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
CID 103121176
N-(1-amino-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106164842
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353
(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 107823505
N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116011
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121
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

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103115859) is N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is CCC(CCN)NC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is UMBGCEJKOLPCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-9(3-4-13)16-12(18)10-7-15-17-6-5-14-8-11(10)17/h5-9H,2-4,13H2,1H3,(H,16,18).
What are the key properties of N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103115859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).