1,4-dimethyl-5-propylpyrazole-3-carboxylic acid

C9H14N2O2 — CID 20666344

IUPAC1,4-dimethyl-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1c(C)c(C(=O)O)nn1C
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6(2)8(9(12)13)10-11(7)3/h4-5H2,1-3H3,(H,12,13)
InChIKeyZNROJWVAPDZWPC-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds3

About 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid

1,4-dimethyl-5-propylpyrazole-3-carboxylic acid (PubChem CID 20666344) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,4-dimethyl-5-propylpyrazole-3-carboxylic acid
PubChem CID20666344
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,4-dimethyl-5-propylpyrazole-3-carboxylic acid
SMILESCCCc1c(C)c(C(=O)O)nn1C
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6(2)8(9(12)13)10-11(7)3/h4-5H2,1-3H3,(H,12,13)
InChIKeyZNROJWVAPDZWPC-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-methyl-1H-pyrazole-5-carboxylic acid
CID 720529
3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
CID 820565
2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid
CID 587797
1-Methyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
CID 3157470
1-ethyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
CID 6484132
1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid
CID 3159609
1-methyl-5-propyl-1H-pyrazole-3-carboxylic acid
CID 9898937
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
CID 3159656
2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
5-ethyl-1-methyl-1H-pyrazole-3-carboxylic acid
CID 19967594
1-methyl-5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 20549812

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid?
The IUPAC name of 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid (CID 20666344) is 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid?
The canonical SMILES for 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid is CCCc1c(C)c(C(=O)O)nn1C.
What is the InChIKey of 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid?
The InChIKey is ZNROJWVAPDZWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7-6(2)8(9(12)13)10-11(7)3/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid?
1,4-dimethyl-5-propylpyrazole-3-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-propylpyrazole-3-carboxylic acid is sourced from PubChem (CID 20666344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).