ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate

C23H20N4O3 — CID 25148399

IUPACethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C23H20N4O3/c1-3-30-23(29)21-20(15-26(25-21)17-10-6-4-7-11-17)22(28)19-14-24-27(16(19)2)18-12-8-5-9-13-18/h4-15H,3H2,1-2H3
InChIKeyDAIMFAFHMBHVKC-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.77
Rot. Bonds6

About ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate

ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate (PubChem CID 25148399) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate
PubChem CID25148399
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Nameethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C23H20N4O3/c1-3-30-23(29)21-20(15-26(25-21)17-10-6-4-7-11-17)22(28)19-14-24-27(16(19)2)18-12-8-5-9-13-18/h4-15H,3H2,1-2H3
InChIKeyDAIMFAFHMBHVKC-UHFFFAOYSA-N
XLogP3.77
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate
CID 1214564
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
ethyl 4-(4-aminophenyl)-1-phenylpyrazole-3-carboxylate
CID 12886956
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
ethyl 5-methyl-1-[4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate
CID 43072027
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 1-phenyl-4-(trifluoromethoxy)pyrazole-3-carboxylate
CID 175260189
ethyl 1-(4-aminophenyl)-4-phenylpyrazole-3-carboxylate
CID 89330372
ethyl 1-phenyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)pyrazole-4-carboxylate
CID 163934460
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate (CID 25148399) is ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate?
The InChIKey is DAIMFAFHMBHVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-3-30-23(29)21-20(15-26(25-21)17-10-6-4-7-11-17)22(28)19-14-24-27(16(19)2)18-12-8-5-9-13-18/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate?
ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 25148399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).