N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide

C19H20FN5O2 — CID 55867788

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C19H20FN5O2/c1-24(19(27)16-9-10-18(26)25(2)23-16)11-3-4-15-12-17(22-21-15)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyNKQOIBMBLWZLQS-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.01
Rot. Bonds6

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 55867788) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID55867788
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C19H20FN5O2/c1-24(19(27)16-9-10-18(26)25(2)23-16)11-3-4-15-12-17(22-21-15)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyNKQOIBMBLWZLQS-UHFFFAOYSA-N
XLogP2.01
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 87020189
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
N,3-dimethyl-4-oxo-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]phthalazine-1-carboxamide
CID 55813894
N-(2-hydroxyethyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 60652659
2-chloro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylquinoline-6-carboxamide
CID 55858078
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55766740
1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
CID 119757350
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 55767150
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55866378
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide (CID 55867788) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is NKQOIBMBLWZLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-24(19(27)16-9-10-18(26)25(2)23-16)11-3-4-15-12-17(22-21-15)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,1-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55867788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).