1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid

C7H11N3O2 — CID 117217130

IUPAC1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid
SMILESCNCc1cc(C(=O)O)nn1C
InChIInChI=1S/C7H11N3O2/c1-8-4-5-3-6(7(11)12)9-10(5)2/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyQJFWXQLCHKULNT-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.16
Rot. Bonds3

About 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid

1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid (PubChem CID 117217130) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid
PubChem CID117217130
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid
SMILESCNCc1cc(C(=O)O)nn1C
InChIInChI=1S/C7H11N3O2/c1-8-4-5-3-6(7(11)12)9-10(5)2/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyQJFWXQLCHKULNT-UHFFFAOYSA-N
XLogP-0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(sulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217191
5-(4-chlorobutyl)-1-methylpyrazole-3-carboxylic acid
CID 66958663
1-methyl-5-[(2,4,5-trimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 82093641
5-[(3,5-dimethylphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090132
5-(1,3-dihydroisoindol-2-ylmethyl)-1-methylpyrazole-3-carboxylic acid
CID 117217117
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734
1-methyl-5-[[2-(oxan-4-yl)butylamino]methyl]pyrazole-3-carboxylic acid
CID 166283395
5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
5-[2-(2,4-dimethylphenoxy)ethyl]-1-methylpyrazole-3-carboxylic acid
CID 82093635
5-[(3,4-difluorophenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82092504
5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 136574698

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid (CID 117217130) is 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid is CNCc1cc(C(=O)O)nn1C.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid?
The InChIKey is QJFWXQLCHKULNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8-4-5-3-6(7(11)12)9-10(5)2/h3,8H,4H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid?
1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 117217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).