N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide

C22H25Cl2N5O2 — CID 139979625

IUPACN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESCCc1nn(CCNC(=O)Cc2ccc(=O)[nH]n2)c(CC)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2N5O2/c1-3-19-18(11-14-9-15(23)12-16(24)10-14)20(4-2)29(28-19)8-7-25-22(31)13-17-5-6-21(30)27-26-17/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyGUNIHVSHFBLEKQ-UHFFFAOYSA-N
MW462.38 g/mol
LogP3.35
Rot. Bonds9

About N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide

N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide (PubChem CID 139979625) has the molecular formula C22H25Cl2N5O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide
PubChem CID139979625
Molecular FormulaC22H25Cl2N5O2
Molecular Weight462.38 g/mol
Exact Mass461.14
IUPAC NameN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESCCc1nn(CCNC(=O)Cc2ccc(=O)[nH]n2)c(CC)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2N5O2/c1-3-19-18(11-14-9-15(23)12-16(24)10-14)20(4-2)29(28-19)8-7-25-22(31)13-17-5-6-21(30)27-26-17/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyGUNIHVSHFBLEKQ-UHFFFAOYSA-N
XLogP3.35
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide?
The IUPAC name of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide (CID 139979625) is N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide.
What is the SMILES notation for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide?
The canonical SMILES for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide is CCc1nn(CCNC(=O)Cc2ccc(=O)[nH]n2)c(CC)c1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide?
The InChIKey is GUNIHVSHFBLEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O2/c1-3-19-18(11-14-9-15(23)12-16(24)10-14)20(4-2)29(28-19)8-7-25-22(31)13-17-5-6-21(30)27-26-17/h5-6,9-10,12H,3-4,7-8,11,13H2,1-2H3,(H,25,31)(H,27,30).
What are the key properties of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide?
N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide has a molecular weight of 462.38 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-(6-oxo-1H-pyridazin-3-yl)acetamide is sourced from PubChem (CID 139979625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).