1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid

C12H19N3O2 — CID 115092798

IUPAC1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
SMILESCN1CCCCC1Cc1cc(C(=O)O)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-14-6-4-3-5-10(14)7-9-8-11(12(16)17)15(2)13-9/h8,10H,3-7H2,1-2H3,(H,16,17)
InChIKeyKBRNODMJSTYADW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.15
Rot. Bonds3

About 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid

1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid (PubChem CID 115092798) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
PubChem CID115092798
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
SMILESCN1CCCCC1Cc1cc(C(=O)O)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-14-6-4-3-5-10(14)7-9-8-11(12(16)17)15(2)13-9/h8,10H,3-7H2,1-2H3,(H,16,17)
InChIKeyKBRNODMJSTYADW-UHFFFAOYSA-N
XLogP1.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
CID 115093232
1-methyl-3-(thian-4-ylmethyl)pyrazole-5-carboxylic acid
CID 115092425
1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
CID 115092355
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
6-[(1-methylpiperidin-2-yl)methyl]pyridazine-3,4-diamine
CID 117106143
3-chloro-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106139
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
CID 65467124
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
CID 115092755
4-bromo-3-methoxy-6-[(1-methylpiperidin-2-yl)methyl]pyridazine
CID 117106215
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid (CID 115092798) is 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid is CN1CCCCC1Cc1cc(C(=O)O)n(C)n1.
What is the InChIKey of 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid?
The InChIKey is KBRNODMJSTYADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-6-4-3-5-10(14)7-9-8-11(12(16)17)15(2)13-9/h8,10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid?
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 115092798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).