5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide

C19H15ClN6O2 — CID 56508879

IUPAC5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C19H15ClN6O2/c1-28-15-5-3-2-4-13(15)17-22-19(26-25-17)23-18(27)14-10-21-24-16(14)11-6-8-12(20)9-7-11/h2-10H,1H3,(H,21,24)(H2,22,23,25,26,27)
InChIKeyGIJYUYJFTXFGSN-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.78
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 56508879) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID56508879
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C19H15ClN6O2/c1-28-15-5-3-2-4-13(15)17-22-19(26-25-17)23-18(27)14-10-21-24-16(14)11-6-8-12(20)9-7-11/h2-10H,1H3,(H,21,24)(H2,22,23,25,26,27)
InChIKeyGIJYUYJFTXFGSN-UHFFFAOYSA-N
XLogP3.78
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide (CID 56508879) is 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide is COc1ccccc1-c1nc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is GIJYUYJFTXFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c1-28-15-5-3-2-4-13(15)17-22-19(26-25-17)23-18(27)14-10-21-24-16(14)11-6-8-12(20)9-7-11/h2-10H,1H3,(H,21,24)(H2,22,23,25,26,27).
What are the key properties of 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 394.82 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56508879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).