1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide

C23H15Cl2N5O — CID 46224922

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide
SMILESN#CCc1c(C(=O)Nc2cccnc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl2N5O/c24-16-9-7-15(8-10-16)22-18(11-12-26)21(23(31)28-17-4-3-13-27-14-17)29-30(22)20-6-2-1-5-19(20)25/h1-10,13-14H,11H2,(H,28,31)
InChIKeyUWWUCNACYZFKJB-UHFFFAOYSA-N
MW448.31 g/mol
LogP5.56
Rot. Bonds5

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 46224922) has the molecular formula C23H15Cl2N5O and a molecular weight of 448.31 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID46224922
Molecular FormulaC23H15Cl2N5O
Molecular Weight448.31 g/mol
Exact Mass447.07
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide
SMILESN#CCc1c(C(=O)Nc2cccnc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl2N5O/c24-16-9-7-15(8-10-16)22-18(11-12-26)21(23(31)28-17-4-3-13-27-14-17)29-30(22)20-6-2-1-5-19(20)25/h1-10,13-14H,11H2,(H,28,31)
InChIKeyUWWUCNACYZFKJB-UHFFFAOYSA-N
XLogP5.56
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.31
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide (CID 46224922) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide is N#CCc1c(C(=O)Nc2cccnc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is UWWUCNACYZFKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O/c24-16-9-7-15(8-10-16)22-18(11-12-26)21(23(31)28-17-4-3-13-27-14-17)29-30(22)20-6-2-1-5-19(20)25/h1-10,13-14H,11H2,(H,28,31).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 448.31 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 46224922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).