N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide

C21H15Cl2N5O2 — CID 71697667

IUPACN,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C21H15Cl2N5O2/c1-30-20-11-10-19(25-26-20)28-18(13-2-4-14(22)5-3-13)12-17(27-28)21(29)24-16-8-6-15(23)7-9-16/h2-12H,1H3,(H,24,29)
InChIKeyDCZGBGQUKNETLU-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.90
Rot. Bonds5

About N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide

N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide (PubChem CID 71697667) has the molecular formula C21H15Cl2N5O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
PubChem CID71697667
Molecular FormulaC21H15Cl2N5O2
Molecular Weight440.29 g/mol
Exact Mass439.06
IUPAC NameN,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C21H15Cl2N5O2/c1-30-20-11-10-19(25-26-20)28-18(13-2-4-14(22)5-3-13)12-17(27-28)21(29)24-16-8-6-15(23)7-9-16/h2-12H,1H3,(H,24,29)
InChIKeyDCZGBGQUKNETLU-UHFFFAOYSA-N
XLogP4.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide (CID 71697667) is N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2ccc(Cl)cc2)nn1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
The InChIKey is DCZGBGQUKNETLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5O2/c1-30-20-11-10-19(25-26-20)28-18(13-2-4-14(22)5-3-13)12-17(27-28)21(29)24-16-8-6-15(23)7-9-16/h2-12H,1H3,(H,24,29).
What are the key properties of N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide?
N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide has a molecular weight of 440.29 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 71697667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).