2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone

C14H21N3O — CID 6623448

IUPAC2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCc2nn(CC(=O)N3CCCC3)cc2C1
InChIInChI=1S/C14H21N3O/c1-11-4-5-13-12(8-11)9-17(15-13)10-14(18)16-6-2-3-7-16/h9,11H,2-8,10H2,1H3
InChIKeyDZPGCNHXNVZPNN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.63
Rot. Bonds2

About 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 6623448) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID6623448
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone
SMILESCC1CCc2nn(CC(=O)N3CCCC3)cc2C1
InChIInChI=1S/C14H21N3O/c1-11-4-5-13-12(8-11)9-17(15-13)10-14(18)16-6-2-3-7-16/h9,11H,2-8,10H2,1H3
InChIKeyDZPGCNHXNVZPNN-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 5307336
N-(2,3-dimethylcyclohexyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307420
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307608
1-(Azepan-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308236
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309025
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(3-propylsulfanylpropyl)acetamide
CID 5309215
N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309319
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5309454
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
ethyl 4-{[(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetyl]amino}piperidine-1-carboxylate
CID 3239522
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone (CID 6623448) is 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone is CC1CCc2nn(CC(=O)N3CCCC3)cc2C1.
What is the InChIKey of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is DZPGCNHXNVZPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-5-13-12(8-11)9-17(15-13)10-14(18)16-6-2-3-7-16/h9,11H,2-8,10H2,1H3.
What are the key properties of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone?
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 247.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6623448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).