5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide

C20H15ClN6O2 — CID 71697564

IUPAC5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccncc3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H15ClN6O2/c1-29-19-7-6-18(24-25-19)27-17(13-2-4-14(21)5-3-13)12-16(26-27)20(28)23-15-8-10-22-11-9-15/h2-12H,1H3,(H,22,23,28)
InChIKeyLSJYUCSUBUMDFW-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.64
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 71697564) has the molecular formula C20H15ClN6O2 and a molecular weight of 406.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID71697564
Molecular FormulaC20H15ClN6O2
Molecular Weight406.83 g/mol
Exact Mass406.09
IUPAC Name5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccncc3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H15ClN6O2/c1-29-19-7-6-18(24-25-19)27-17(13-2-4-14(21)5-3-13)12-16(26-27)20(28)23-15-8-10-22-11-9-15/h2-12H,1H3,(H,22,23,28)
InChIKeyLSJYUCSUBUMDFW-UHFFFAOYSA-N
XLogP3.64
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide (CID 71697564) is 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccncc3)cc2-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is LSJYUCSUBUMDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O2/c1-29-19-7-6-18(24-25-19)27-17(13-2-4-14(21)5-3-13)12-16(26-27)20(28)23-15-8-10-22-11-9-15/h2-12H,1H3,(H,22,23,28).
What are the key properties of 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 406.83 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 71697564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).