1,3,5-trimethylpyrazole-4-carboxylic acid

C7H10N2O2 — CID 736514

IUPAC1,3,5-trimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)
InChIKeyNOIOGQJFLIPRBI-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.74
Rot. Bonds1

About 1,3,5-trimethylpyrazole-4-carboxylic acid

1,3,5-trimethylpyrazole-4-carboxylic acid (PubChem CID 736514) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,3,5-trimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3,5-trimethylpyrazole-4-carboxylic acid
PubChem CID736514
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,3,5-trimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11)
InChIKeyNOIOGQJFLIPRBI-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273303
1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273304
3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoic acid
CID 1096386
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 653648
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1133641
1-ethyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 1075882
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 2984081
1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 16781597
4-Formyl-3,5-dimethyl-1H-pyrazole-1-propanoic acid
CID 30491485
2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 7131332
3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220
methyl 3-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoate
CID 30491482

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1,3,5-trimethylpyrazole-4-carboxylic acid (CID 736514) is 1,3,5-trimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3,5-trimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1,3,5-trimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(C)c1C(=O)O.
What is the InChIKey of 1,3,5-trimethylpyrazole-4-carboxylic acid?
The InChIKey is NOIOGQJFLIPRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-6(7(10)11)5(2)9(3)8-4/h1-3H3,(H,10,11).
What are the key properties of 1,3,5-trimethylpyrazole-4-carboxylic acid?
1,3,5-trimethylpyrazole-4-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 736514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).