5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid

C9H12N2O2 — CID 105438703

IUPAC5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1C1CC1
InChIInChI=1S/C9H12N2O2/c1-5-7(9(12)13)10-11(2)8(5)6-3-4-6/h6H,3-4H2,1-2H3,(H,12,13)
InChIKeyUSKBEJXRNQVMHT-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds2

About 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid

5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid (PubChem CID 105438703) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
PubChem CID105438703
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1C1CC1
InChIInChI=1S/C9H12N2O2/c1-5-7(9(12)13)10-11(2)8(5)6-3-4-6/h6H,3-4H2,1-2H3,(H,12,13)
InChIKeyUSKBEJXRNQVMHT-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid
CID 105461888
5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid
CID 102533847
4-bromo-1-methyl-5-(1-methylpyrrolidin-3-yl)pyrazole-3-carboxylic acid
CID 116858293
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
3-cyclopropyl-2-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83910073
5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid
CID 170553551
1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 105450095
5-cyclopentyl-1,4-dimethylpyrazol-3-amine
CID 83846467
5-cyclobutyl-1,4-dimethylpyrazol-3-amine
CID 83845846
(2S,4R)-3,3,9-trimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 72793720
1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
CID 102533846

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid (CID 105438703) is 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(C)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid?
The InChIKey is USKBEJXRNQVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-7(9(12)13)10-11(2)8(5)6-3-4-6/h6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid?
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105438703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).