1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid

C14H16N2O3 — CID 43324425

IUPAC1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
SMILESCC(C)Oc1ccc(-c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)19-11-6-4-10(5-7-11)13-12(14(17)18)8-16(3)15-13/h4-9H,1-3H3,(H,17,18)
InChIKeyOTTAZMAIRUZAIR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.57
Rot. Bonds4

About 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid

1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 43324425) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
PubChem CID43324425
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
SMILESCC(C)Oc1ccc(-c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C14H16N2O3/c1-9(2)19-11-6-4-10(5-7-11)13-12(14(17)18)8-16(3)15-13/h4-9H,1-3H3,(H,17,18)
InChIKeyOTTAZMAIRUZAIR-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid
CID 43324444
3-[4-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61266470
1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 43324436
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 102811706
3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
CID 82483342
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
CID 66737668
1-pentan-3-yl-3-(4-propan-2-yloxyphenyl)pyrazol-4-amine
CID 83203363

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid (CID 43324425) is 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid is CC(C)Oc1ccc(-c2nn(C)cc2C(=O)O)cc1.
What is the InChIKey of 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is OTTAZMAIRUZAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)19-11-6-4-10(5-7-11)13-12(14(17)18)8-16(3)15-13/h4-9H,1-3H3,(H,17,18).
What are the key properties of 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid?
1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43324425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).