N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide

C20H24N6O — CID 156745309

IUPACN-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide
SMILESO=C(NCCn1cccn1)c1cccc(C2=CC=C(N3CCCC3)NN2)c1
InChIInChI=1S/C20H24N6O/c27-20(21-10-14-26-13-4-9-22-26)17-6-3-5-16(15-17)18-7-8-19(24-23-18)25-11-1-2-12-25/h3-9,13,15,23-24H,1-2,10-12,14H2,(H,21,27)
InChIKeyGOQAOPMYZTYUTG-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.70
Rot. Bonds6

About N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide

N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide (PubChem CID 156745309) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide
PubChem CID156745309
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide
SMILESO=C(NCCn1cccn1)c1cccc(C2=CC=C(N3CCCC3)NN2)c1
InChIInChI=1S/C20H24N6O/c27-20(21-10-14-26-13-4-9-22-26)17-6-3-5-16(15-17)18-7-8-19(24-23-18)25-11-1-2-12-25/h3-9,13,15,23-24H,1-2,10-12,14H2,(H,21,27)
InChIKeyGOQAOPMYZTYUTG-UHFFFAOYSA-N
XLogP1.70
TPSA74.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide with MolForge

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Related Compounds

molecular hydrogen;N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide;3-(6-pyrrolidin-1-ylpyridazin-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 156745316
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
4-(3-piperazin-1-ylphenyl)-N-(2-pyrazol-1-ylethyl)benzamide;hydrochloride
CID 154909185
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 25477439
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
CID 138998487
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
3-[[(3S)-oxan-3-yl]sulfamoyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 97192159

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide (CID 156745309) is N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide is O=C(NCCn1cccn1)c1cccc(C2=CC=C(N3CCCC3)NN2)c1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide?
The InChIKey is GOQAOPMYZTYUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(21-10-14-26-13-4-9-22-26)17-6-3-5-16(15-17)18-7-8-19(24-23-18)25-11-1-2-12-25/h3-9,13,15,23-24H,1-2,10-12,14H2,(H,21,27).
What are the key properties of N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide?
N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-3-(6-pyrrolidin-1-yl-1,2-dihydropyridazin-3-yl)benzamide is sourced from PubChem (CID 156745309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).