N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide

C12H17N5O — CID 103115831

IUPACN-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CN)CN(C)C(=O)c1cnn2ccncc12
InChIInChI=1S/C12H17N5O/c1-9(5-13)8-16(2)12(18)10-6-15-17-4-3-14-7-11(10)17/h3-4,6-7,9H,5,8,13H2,1-2H3
InChIKeyRWXMAGGKWSSROC-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.40
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide

N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103115831) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103115831
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CN)CN(C)C(=O)c1cnn2ccncc12
InChIInChI=1S/C12H17N5O/c1-9(5-13)8-16(2)12(18)10-6-15-17-4-3-14-7-11(10)17/h3-4,6-7,9H,5,8,13H2,1-2H3
InChIKeyRWXMAGGKWSSROC-UHFFFAOYSA-N
XLogP0.40
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103115831) is N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide is CC(CN)CN(C)C(=O)c1cnn2ccncc12.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RWXMAGGKWSSROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(5-13)8-16(2)12(18)10-6-15-17-4-3-14-7-11(10)17/h3-4,6-7,9H,5,8,13H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103115831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).