3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid

C10H15N3O2 — CID 105462921

IUPAC3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C2CN(C)C2)c(C)c1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-6-9(10(14)15)7(2)13(11-6)8-4-12(3)5-8/h8H,4-5H2,1-3H3,(H,14,15)
InChIKeyGBBNCDVALHXOEX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.68
Rot. Bonds2

About 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid

3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid (PubChem CID 105462921) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid
PubChem CID105462921
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C2CN(C)C2)c(C)c1C(=O)O
InChIInChI=1S/C10H15N3O2/c1-6-9(10(14)15)7(2)13(11-6)8-4-12(3)5-8/h8H,4-5H2,1-3H3,(H,14,15)
InChIKeyGBBNCDVALHXOEX-UHFFFAOYSA-N
XLogP0.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanone
CID 105496744
3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105499204
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 79899673
1-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 105496750
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 82930287
5-chloro-1-cycloheptyl-3-methylpyrazole-4-carboxylic acid
CID 61273239
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
CID 55032261
3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 79171673
3,5-dimethyl-1-prop-2-ynylpyrazole-4-carboxylic acid
CID 43565541
5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyrazole-4-carboxylic acid
CID 135371214
3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
CID 105456652
N-(1-benzylpiperidin-4-yl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 95859471

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid (CID 105462921) is 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid is Cc1nn(C2CN(C)C2)c(C)c1C(=O)O.
What is the InChIKey of 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid?
The InChIKey is GBBNCDVALHXOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9(10(14)15)7(2)13(11-6)8-4-12(3)5-8/h8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid?
3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 105462921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).