N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C17H15ClFN5O2 — CID 37139294

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2c(F)cccc2Cl)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C17H15ClFN5O2/c1-10-11(8-20-24(10)15-6-7-16(25)22-21-15)17(26)23(2)9-12-13(18)4-3-5-14(12)19/h3-8H,9H2,1-2H3,(H,22,25)
InChIKeyAINWLAFQYKZMTA-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.33
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 37139294) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID37139294
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2c(F)cccc2Cl)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C17H15ClFN5O2/c1-10-11(8-20-24(10)15-6-7-16(25)22-21-15)17(26)23(2)9-12-13(18)4-3-5-14(12)19/h3-8H,9H2,1-2H3,(H,22,25)
InChIKeyAINWLAFQYKZMTA-UHFFFAOYSA-N
XLogP2.33
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43049895
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081607
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60628551
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218
N-[(2-chloro-6-fluorophenyl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 31361212
2-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193075
N-(2,4-dichlorophenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24671988
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763351

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 37139294) is N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2c(F)cccc2Cl)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is AINWLAFQYKZMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-10-11(8-20-24(10)15-6-7-16(25)22-21-15)17(26)23(2)9-12-13(18)4-3-5-14(12)19/h3-8H,9H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 37139294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).