1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide

C23H22ClN5O2 — CID 46588715

IUPAC1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5O2/c1-4-20-19(14-25-28(20)18-12-8-9-16(24)13-18)22(30)26-21-15(2)27(3)29(23(21)31)17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,26,30)
InChIKeyKRUJQWXEAGFQPX-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.14
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide (PubChem CID 46588715) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide
PubChem CID46588715
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN5O2/c1-4-20-19(14-25-28(20)18-12-8-9-16(24)13-18)22(30)26-21-15(2)27(3)29(23(21)31)17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,26,30)
InChIKeyKRUJQWXEAGFQPX-UHFFFAOYSA-N
XLogP4.14
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
5-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrazole-4-carboxamide
CID 110452089
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32953030
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590
5-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-fluorobenzamide
CID 46615911

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide (CID 46588715) is 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide?
The InChIKey is KRUJQWXEAGFQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-4-20-19(14-25-28(20)18-12-8-9-16(24)13-18)22(30)26-21-15(2)27(3)29(23(21)31)17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,26,30).
What are the key properties of 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 46588715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).