ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate

C24H20N2O3 — CID 1214564

IUPACethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H20N2O3/c1-3-29-24(28)22-21(15-26(25-22)18-13-11-16(2)12-14-18)23(27)20-10-6-8-17-7-4-5-9-19(17)20/h4-15H,3H2,1-2H3
InChIKeyUJOZBGSQTJEINC-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.74
Rot. Bonds5

About ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate

ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate (PubChem CID 1214564) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate
PubChem CID1214564
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Nameethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H20N2O3/c1-3-29-24(28)22-21(15-26(25-22)18-13-11-16(2)12-14-18)23(27)20-10-6-8-17-7-4-5-9-19(17)20/h4-15H,3H2,1-2H3
InChIKeyUJOZBGSQTJEINC-UHFFFAOYSA-N
XLogP4.74
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone
CID 45034404
ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate
CID 25148399
ethyl 4-acetyl-1-(4-ethoxyphenyl)pyrazole-3-carboxylate
CID 28811414
(E)-3-[3-ethoxycarbonyl-1-(4-methylphenyl)pyrazol-4-yl]prop-2-enoic acid
CID 28811169
ethyl 1-(4-fluorophenyl)-4-(10H-phenothiazine-2-carbonyl)pyrazole-3-carboxylate
CID 102101429
ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 1214572
ethyl 1-(4-chlorophenyl)-4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)pyrazole-3-carboxylate
CID 127038729
ethyl 1-(4-aminophenyl)-4-phenylpyrazole-3-carboxylate
CID 89330372
ethyl 4-(4-aminophenyl)-1-phenylpyrazole-3-carboxylate
CID 12886956
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate (CID 1214564) is ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1cccc2ccccc12.
What is the InChIKey of ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate?
The InChIKey is UJOZBGSQTJEINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-3-29-24(28)22-21(15-26(25-22)18-13-11-16(2)12-14-18)23(27)20-10-6-8-17-7-4-5-9-19(17)20/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate?
ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate is sourced from PubChem (CID 1214564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).