1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide

C23H18ClN5O2 — CID 10048413

IUPAC1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cc(C(=O)Nc2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClN5O2/c24-17-8-10-19(11-9-17)29-21(23(31)27-18-6-2-1-3-7-18)13-20(28-29)22(30)26-15-16-5-4-12-25-14-16/h1-14H,15H2,(H,26,30)(H,27,31)
InChIKeyJJUCPSNNBMSMKG-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide

1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide (PubChem CID 10048413) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
PubChem CID10048413
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
SMILESO=C(NCc1cccnc1)c1cc(C(=O)Nc2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H18ClN5O2/c24-17-8-10-19(11-9-17)29-21(23(31)27-18-6-2-1-3-7-18)13-20(28-29)22(30)26-15-16-5-4-12-25-14-16/h1-14H,15H2,(H,26,30)(H,27,31)
InChIKeyJJUCPSNNBMSMKG-UHFFFAOYSA-N
XLogP4.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide (CID 10048413) is 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide is O=C(NCc1cccnc1)c1cc(C(=O)Nc2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
The InChIKey is JJUCPSNNBMSMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-17-8-10-19(11-9-17)29-21(23(31)27-18-6-2-1-3-7-18)13-20(28-29)22(30)26-15-16-5-4-12-25-14-16/h1-14H,15H2,(H,26,30)(H,27,31).
What are the key properties of 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide?
1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide has a molecular weight of 431.88 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-N-phenyl-3-N-(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 10048413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).