3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid

C18H16N2O4 — CID 4559405

IUPAC3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]n2)ccc1OCc1ccccc1
InChIInChI=1S/C18H16N2O4/c1-23-17-9-13(14-10-15(18(21)22)20-19-14)7-8-16(17)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyFJPASACMELCVRF-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.36
Rot. Bonds6

About 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 4559405) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID4559405
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)[nH]n2)ccc1OCc1ccccc1
InChIInChI=1S/C18H16N2O4/c1-23-17-9-13(14-10-15(18(21)22)20-19-14)7-8-16(17)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyFJPASACMELCVRF-UHFFFAOYSA-N
XLogP3.36
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135641984
N-(cinnamylideneamino)-3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6803299
3-[3,5-bis(phenylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 4017523
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
3-[3-(fluoromethyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117378384
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
CID 135641990
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 4559405) is 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid is COc1cc(-c2cc(C(=O)O)[nH]n2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is FJPASACMELCVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-17-9-13(14-10-15(18(21)22)20-19-14)7-8-16(17)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 4559405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).