1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid

C18H14Cl2N2O3 — CID 91871347

IUPAC1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)n(Cc3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-25-14-5-2-11(3-6-14)16-9-17(18(23)24)22(21-16)10-12-8-13(19)4-7-15(12)20/h2-9H,10H2,1H3,(H,23,24)
InChIKeyHNMVZNWMZVIECX-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.61
Rot. Bonds5

About 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid

1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 91871347) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
PubChem CID91871347
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)n(Cc3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C18H14Cl2N2O3/c1-25-14-5-2-11(3-6-14)16-9-17(18(23)24)22(21-16)10-12-8-13(19)4-7-15(12)20/h2-9H,10H2,1H3,(H,23,24)
InChIKeyHNMVZNWMZVIECX-UHFFFAOYSA-N
XLogP4.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-1-[(2,5-dichlorophenyl)methyl]pyrazole-5-carboxylic acid
CID 91871341
1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871386
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
ethyl 1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 91872719
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 82301479
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid (CID 91871347) is 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid is COc1ccc(-c2cc(C(=O)O)n(Cc3cc(Cl)ccc3Cl)n2)cc1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is HNMVZNWMZVIECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-25-14-5-2-11(3-6-14)16-9-17(18(23)24)22(21-16)10-12-8-13(19)4-7-15(12)20/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 377.23 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 91871347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).