N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide

C12H21N5O — CID 56905985

IUPACN-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide
SMILESCNC(=O)CCN(C)Cc1cc2n(n1)CCNC2
InChIInChI=1S/C12H21N5O/c1-13-12(18)3-5-16(2)9-10-7-11-8-14-4-6-17(11)15-10/h7,14H,3-6,8-9H2,1-2H3,(H,13,18)
InChIKeyIXGGGVKCCDIOCY-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.45
Rot. Bonds5

About N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide

N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide (PubChem CID 56905985) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide
PubChem CID56905985
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide
SMILESCNC(=O)CCN(C)Cc1cc2n(n1)CCNC2
InChIInChI=1S/C12H21N5O/c1-13-12(18)3-5-16(2)9-10-7-11-8-14-4-6-17(11)15-10/h7,14H,3-6,8-9H2,1-2H3,(H,13,18)
InChIKeyIXGGGVKCCDIOCY-UHFFFAOYSA-N
XLogP-0.45
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide (CID 56905985) is N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide is CNC(=O)CCN(C)Cc1cc2n(n1)CCNC2.
What is the InChIKey of N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide?
The InChIKey is IXGGGVKCCDIOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-13-12(18)3-5-16(2)9-10-7-11-8-14-4-6-17(11)15-10/h7,14H,3-6,8-9H2,1-2H3,(H,13,18).
What are the key properties of N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide?
N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide has a molecular weight of 251.33 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 56905985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).