1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide

C14H19N5O — CID 110197143

IUPAC1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCN1Cc2cccn2CC1CNC(=O)c1cnn(C)c1
InChIInChI=1S/C14H19N5O/c1-17-9-12-4-3-5-19(12)10-13(17)7-15-14(20)11-6-16-18(2)8-11/h3-6,8,13H,7,9-10H2,1-2H3,(H,15,20)
InChIKeyZSWUAEPUYMSDPA-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.47
Rot. Bonds3

About 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide

1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 110197143) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID110197143
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCN1Cc2cccn2CC1CNC(=O)c1cnn(C)c1
InChIInChI=1S/C14H19N5O/c1-17-9-12-4-3-5-19(12)10-13(17)7-15-14(20)11-6-16-18(2)8-11/h3-6,8,13H,7,9-10H2,1-2H3,(H,15,20)
InChIKeyZSWUAEPUYMSDPA-UHFFFAOYSA-N
XLogP0.47
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide (CID 110197143) is 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide is CN1Cc2cccn2CC1CNC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZSWUAEPUYMSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-17-9-12-4-3-5-19(12)10-13(17)7-15-14(20)11-6-16-18(2)8-11/h3-6,8,13H,7,9-10H2,1-2H3,(H,15,20).
What are the key properties of 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110197143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).