1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid

C15H24N4O2 — CID 116632235

IUPAC1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESCC1CN2CCCCC2CN1Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C15H24N4O2/c1-11-8-18-6-4-3-5-12(18)9-19(11)10-14-13(15(20)21)7-16-17(14)2/h7,11-12H,3-6,8-10H2,1-2H3,(H,20,21)
InChIKeyHMDUUPNQQJUTRX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.18
Rot. Bonds3

About 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid

1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 116632235) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID116632235
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESCC1CN2CCCCC2CN1Cc1c(C(=O)O)cnn1C
InChIInChI=1S/C15H24N4O2/c1-11-8-18-6-4-3-5-12(18)9-19(11)10-14-13(15(20)21)7-16-17(14)2/h7,11-12H,3-6,8-10H2,1-2H3,(H,20,21)
InChIKeyHMDUUPNQQJUTRX-UHFFFAOYSA-N
XLogP1.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid (CID 116632235) is 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid is CC1CN2CCCCC2CN1Cc1c(C(=O)O)cnn1C.
What is the InChIKey of 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is HMDUUPNQQJUTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-8-18-6-4-3-5-12(18)9-19(11)10-14-13(15(20)21)7-16-17(14)2/h7,11-12H,3-6,8-10H2,1-2H3,(H,20,21).
What are the key properties of 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116632235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).