3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid

C17H22N2O3 — CID 82308466

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
SMILESCCCn1nc(-c2ccc(OC)c(C(C)C)c2)cc1C(=O)O
InChIInChI=1S/C17H22N2O3/c1-5-8-19-15(17(20)21)10-14(18-19)12-6-7-16(22-4)13(9-12)11(2)3/h6-7,9-11H,5,8H2,1-4H3,(H,20,21)
InChIKeyQYNNRUKIHDNSKI-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.79
Rot. Bonds6

About 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid

3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid (PubChem CID 82308466) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
PubChem CID82308466
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
SMILESCCCn1nc(-c2ccc(OC)c(C(C)C)c2)cc1C(=O)O
InChIInChI=1S/C17H22N2O3/c1-5-8-19-15(17(20)21)10-14(18-19)12-6-7-16(22-4)13(9-12)11(2)3/h6-7,9-11H,5,8H2,1-4H3,(H,20,21)
InChIKeyQYNNRUKIHDNSKI-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371581
3-(4-methyl-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761159
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propylpyrazole-5-carboxylic acid
CID 82308463
3-(4-methoxy-3-propan-2-ylphenyl)-1-prop-2-enylpyrazole-5-carbaldehyde
CID 84761276
3-(4-fluoro-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761156
1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 82301479
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
3-(3-amino-4-methoxyphenyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 84761138
3-(2-imidazol-1-yl-4-pyridinyl)-1-propylpyrazole-5-carboxylic acid
CID 59722821
1-propyl-3-(2,3,5,6-tetramethylphenyl)pyrazole-5-carboxylic acid
CID 82307645
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid (CID 82308466) is 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid is CCCn1nc(-c2ccc(OC)c(C(C)C)c2)cc1C(=O)O.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid?
The InChIKey is QYNNRUKIHDNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-8-19-15(17(20)21)10-14(18-19)12-6-7-16(22-4)13(9-12)11(2)3/h6-7,9-11H,5,8H2,1-4H3,(H,20,21).
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid?
3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82308466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).