3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid

C10H14N2O2 — CID 43565544

IUPAC3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid
SMILESC=C(C)Cn1nc(C)c(C(=O)O)c1C
InChIInChI=1S/C10H14N2O2/c1-6(2)5-12-8(4)9(10(13)14)7(3)11-12/h1,5H2,2-4H3,(H,13,14)
InChIKeyRVNFHKRDELRSBU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.77
Rot. Bonds3

About 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid

3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid (PubChem CID 43565544) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid
PubChem CID43565544
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid
SMILESC=C(C)Cn1nc(C)c(C(=O)O)c1C
InChIInChI=1S/C10H14N2O2/c1-6(2)5-12-8(4)9(10(13)14)7(3)11-12/h1,5H2,2-4H3,(H,13,14)
InChIKeyRVNFHKRDELRSBU-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroprop-2-enyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565542
3,5-dimethyl-1-(2-methylidenebutyl)pyrazole-4-carboxylic acid
CID 66045019
3,5-dimethyl-1-prop-2-ynylpyrazole-4-carboxylic acid
CID 43565541
1-(2,2-difluoroethyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 19622826
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 61488739
1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 43807968
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-carboxylic acid
CID 112590072
3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 43565537
5-methyl-2-(2-methylprop-2-enyl)pyrazole-3-carboxylic acid
CID 82280773
3,5-dimethyl-1-(2-piperazin-1-ylethyl)pyrazole-4-carboxylic acid
CID 82513910
3,5-dimethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-carboxylic acid
CID 106716858

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid (CID 43565544) is 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid is C=C(C)Cn1nc(C)c(C(=O)O)c1C.
What is the InChIKey of 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid?
The InChIKey is RVNFHKRDELRSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)5-12-8(4)9(10(13)14)7(3)11-12/h1,5H2,2-4H3,(H,13,14).
What are the key properties of 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid?
3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).