6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one

C19H19F3N4O3 — CID 55874273

IUPAC6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)13-8-14(11-3-4-11)24-26(17(13)28)10-16(27)12-7-15(23-9-12)18(29)25-5-1-2-6-25/h7-9,11,23H,1-6,10H2
InChIKeyMYACMEZVRHEIPU-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.59
Rot. Bonds5

About 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 55874273) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID55874273
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)13-8-14(11-3-4-11)24-26(17(13)28)10-16(27)12-7-15(23-9-12)18(29)25-5-1-2-6-25/h7-9,11,23H,1-6,10H2
InChIKeyMYACMEZVRHEIPU-UHFFFAOYSA-N
XLogP2.59
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
CID 1489220
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809
N-[3-(dimethylamino)propyl]-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 3553672
N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
CID 3751552
4-[2-(allylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1-methyl-pyrrole-2-carboxamide
CID 130408561
4-(2-ethylbutanoyl)-1H-pyrrole-2-carbohydrazide
CID 1482690
2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone
CID 1489184
4-(cyclohexylcarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 2766017
N-[(2,6-difluorophenyl)methyl]-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide
CID 49798296
4-(2,4-Difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 1473261
4-(2,6-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 1473264

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one (CID 55874273) is 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is MYACMEZVRHEIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c20-19(21,22)13-8-14(11-3-4-11)24-26(17(13)28)10-16(27)12-7-15(23-9-12)18(29)25-5-1-2-6-25/h7-9,11,23H,1-6,10H2.
What are the key properties of 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 408.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 55874273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).