1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide

C19H20FN3O2 — CID 122280747

IUPAC1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCC2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-15-6-4-14(5-7-15)19(8-9-19)18(25)21-10-11-23-17(24)12-13-2-1-3-16(13)22-23/h4-7,12H,1-3,8-11H2,(H,21,25)
InChIKeyZWBBKLSHLLGXMN-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.72
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 122280747) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID122280747
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCC2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-15-6-4-14(5-7-15)19(8-9-19)18(25)21-10-11-23-17(24)12-13-2-1-3-16(13)22-23/h4-7,12H,1-3,8-11H2,(H,21,25)
InChIKeyZWBBKLSHLLGXMN-UHFFFAOYSA-N
XLogP1.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280389
1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide
CID 126935616
2-(2-fluorophenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277156
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 122277380
2-(3-fluorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide
CID 122280465
3-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]cyclobutane-1-carboxamide
CID 122277487
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
N-[2-[3-(4-chloro-2-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 177184277
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 139680137

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide (CID 122280747) is 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCn1nc2c(cc1=O)CCC2)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is ZWBBKLSHLLGXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-15-6-4-14(5-7-15)19(8-9-19)18(25)21-10-11-23-17(24)12-13-2-1-3-16(13)22-23/h4-7,12H,1-3,8-11H2,(H,21,25).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122280747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).