N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide

C19H19ClFN5O — CID 25107016

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)nn1
InChIInChI=1S/C19H19ClFN5O/c1-11-4-7-18(24-23-11)26-13(3)16(12(2)25-26)9-19(27)22-10-14-5-6-15(21)8-17(14)20/h4-8H,9-10H2,1-3H3,(H,22,27)
InChIKeyOKBXCVJGUCOVQE-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.24
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide (PubChem CID 25107016) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide
PubChem CID25107016
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)nn1
InChIInChI=1S/C19H19ClFN5O/c1-11-4-7-18(24-23-11)26-13(3)16(12(2)25-26)9-19(27)22-10-14-5-6-15(21)8-17(14)20/h4-8H,9-10H2,1-3H3,(H,22,27)
InChIKeyOKBXCVJGUCOVQE-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide (CID 25107016) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide is Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)nn1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide?
The InChIKey is OKBXCVJGUCOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c1-11-4-7-18(24-23-11)26-13(3)16(12(2)25-26)9-19(27)22-10-14-5-6-15(21)8-17(14)20/h4-8H,9-10H2,1-3H3,(H,22,27).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide has a molecular weight of 387.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 25107016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).