4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide

C24H19Cl2N5O2 — CID 24798011

IUPAC4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccncc1NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O
InChIInChI=1S/C24H19Cl2N5O2/c1-14-10-11-28-13-19(14)29-24(33)22-17(12-21(27)32)23(15-6-8-16(25)9-7-15)31(30-22)20-5-3-2-4-18(20)26/h2-11,13H,12H2,1H3,(H2,27,32)(H,29,33)
InChIKeyRXEGFAKFIYJRJK-UHFFFAOYSA-N
MW480.36 g/mol
LogP4.83
Rot. Bonds6

About 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide

4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 24798011) has the molecular formula C24H19Cl2N5O2 and a molecular weight of 480.36 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID24798011
Molecular FormulaC24H19Cl2N5O2
Molecular Weight480.36 g/mol
Exact Mass479.09
IUPAC Name4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccncc1NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O
InChIInChI=1S/C24H19Cl2N5O2/c1-14-10-11-28-13-19(14)29-24(33)22-17(12-21(27)32)23(15-6-8-16(25)9-7-15)31(30-22)20-5-3-2-4-18(20)26/h2-11,13H,12H2,1H3,(H2,27,32)(H,29,33)
InChIKeyRXEGFAKFIYJRJK-UHFFFAOYSA-N
XLogP4.83
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide (CID 24798011) is 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide is Cc1ccncc1NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is RXEGFAKFIYJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O2/c1-14-10-11-28-13-19(14)29-24(33)22-17(12-21(27)32)23(15-6-8-16(25)9-7-15)31(30-22)20-5-3-2-4-18(20)26/h2-11,13H,12H2,1H3,(H2,27,32)(H,29,33).
What are the key properties of 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide?
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 480.36 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 24798011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).