5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid

C15H18N2O3 — CID 82306834

IUPAC5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)nn1Cc1cc(C)ccc1OC
InChIInChI=1S/C15H18N2O3/c1-4-12-8-13(15(18)19)16-17(12)9-11-7-10(2)5-6-14(11)20-3/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyHHAIIDWQKPZOPI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.51
Rot. Bonds5

About 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid

5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid (PubChem CID 82306834) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid
PubChem CID82306834
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid
SMILESCCc1cc(C(=O)O)nn1Cc1cc(C)ccc1OC
InChIInChI=1S/C15H18N2O3/c1-4-12-8-13(15(18)19)16-17(12)9-11-7-10(2)5-6-14(11)20-3/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeyHHAIIDWQKPZOPI-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
CID 90279973
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 136574698
1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372147
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
(2S)-N-ethyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997732
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115
1-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-4-nitropyrazole
CID 8947599
5-amino-2-[(2-methoxy-5-methylphenyl)methyl]pyridazin-3-one
CID 103218397
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid (CID 82306834) is 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid is CCc1cc(C(=O)O)nn1Cc1cc(C)ccc1OC.
What is the InChIKey of 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is HHAIIDWQKPZOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-12-8-13(15(18)19)16-17(12)9-11-7-10(2)5-6-14(11)20-3/h5-8H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid?
5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 82306834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).