5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide

C22H21N5O — CID 55580357

IUPAC5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccn(-c3ccccc3)n2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H21N5O/c1-3-20-19(15-23-27(20)18-11-9-16(2)10-12-18)22(28)24-21-13-14-26(25-21)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,25,28)
InChIKeyFZOZAFVXVWSSOD-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.18
Rot. Bonds5

About 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide

5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide (PubChem CID 55580357) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
PubChem CID55580357
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccn(-c3ccccc3)n2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C22H21N5O/c1-3-20-19(15-23-27(20)18-11-9-16(2)10-12-18)22(28)24-21-13-14-26(25-21)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,25,28)
InChIKeyFZOZAFVXVWSSOD-UHFFFAOYSA-N
XLogP4.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
CID 37437425
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55581030
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
5-ethyl-1-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 39122202
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide (CID 55580357) is 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccn(-c3ccccc3)n2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is FZOZAFVXVWSSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-20-19(15-23-27(20)18-11-9-16(2)10-12-18)22(28)24-21-13-14-26(25-21)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,25,28).
What are the key properties of 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide?
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 55580357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).