3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate

C18H15N2O3- — CID 6946121

IUPAC3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)[O-])n(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C18H16N2O3/c1-12-5-3-7-14(9-12)20-17(18(21)22)11-16(19-20)13-6-4-8-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)/p-1
InChIKeyABKPXAPXYKALDH-UHFFFAOYSA-M
MW307.33 g/mol
LogP2.22
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate

3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate (PubChem CID 6946121) has the molecular formula C18H15N2O3- and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
PubChem CID6946121
Molecular FormulaC18H15N2O3-
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)[O-])n(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C18H16N2O3/c1-12-5-3-7-14(9-12)20-17(18(21)22)11-16(19-20)13-6-4-8-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)/p-1
InChIKeyABKPXAPXYKALDH-UHFFFAOYSA-M
XLogP2.22
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 7361497
(4-ethylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 7218409
N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
1-(3-methoxyphenyl)-3-(3-methylphenyl)pyrazol-5-amine
CID 114798653
N,N-diethyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3919541
ethyl 1-[3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 4664739
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3882518
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
[3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3919711
3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 82370914

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate?
The IUPAC name of 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate (CID 6946121) is 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate is COc1cccc(-c2cc(C(=O)[O-])n(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate?
The InChIKey is ABKPXAPXYKALDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N2O3/c1-12-5-3-7-14(9-12)20-17(18(21)22)11-16(19-20)13-6-4-8-15(10-13)23-2/h3-11H,1-2H3,(H,21,22)/p-1.
What are the key properties of 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate?
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate has a molecular weight of 307.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate is sourced from PubChem (CID 6946121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).