4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

C15H18N2O3 — CID 82489030

IUPAC4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCCOc1cc(C)c(-c2c(C(=O)O)n[nH]c2C)cc1C
InChIInChI=1S/C15H18N2O3/c1-5-20-12-7-8(2)11(6-9(12)3)13-10(4)16-17-14(13)15(18)19/h6-7H,5H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyCPBXHGHRBDANIF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.10
Rot. Bonds4

About 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid

4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 82489030) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID82489030
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCCOc1cc(C)c(-c2c(C(=O)O)n[nH]c2C)cc1C
InChIInChI=1S/C15H18N2O3/c1-5-20-12-7-8(2)11(6-9(12)3)13-10(4)16-17-14(13)15(18)19/h6-7H,5H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyCPBXHGHRBDANIF-UHFFFAOYSA-N
XLogP3.10
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82474333
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid
CID 82488485
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117443904
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486859
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid (CID 82489030) is 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is CCOc1cc(C)c(-c2c(C(=O)O)n[nH]c2C)cc1C.
What is the InChIKey of 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is CPBXHGHRBDANIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-5-20-12-7-8(2)11(6-9(12)3)13-10(4)16-17-14(13)15(18)19/h6-7H,5H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid?
4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 82489030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).