(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone

C13H15N3O — CID 166182991

IUPAC(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)c2[nH]ncc2c1
InChIInChI=1S/C13H15N3O/c1-9-6-10-8-14-15-12(10)11(7-9)13(17)16-4-2-3-5-16/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyJQUYLQUXHQTSLJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.11
Rot. Bonds1

About (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone

(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone (PubChem CID 166182991) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
PubChem CID166182991
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)c2[nH]ncc2c1
InChIInChI=1S/C13H15N3O/c1-9-6-10-8-14-15-12(10)11(7-9)13(17)16-4-2-3-5-16/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyJQUYLQUXHQTSLJ-UHFFFAOYSA-N
XLogP2.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 119173997
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 97069676
5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 122118408
(2-cyclobutylmorpholin-4-yl)-(5-methyl-1H-indazol-7-yl)methanone
CID 128716620
(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(5-methyl-1H-indazol-7-yl)methanone
CID 128534632
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 166249087
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788
[3-[(6-ethylpyrimidin-4-yl)amino]azetidin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 167967823
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678335
(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
CID 119369476
(2,3-dibromo-5-methylphenyl)-piperidin-1-ylmethanone
CID 164895720

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone (CID 166182991) is (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC2)c2[nH]ncc2c1.
What is the InChIKey of (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is JQUYLQUXHQTSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-6-10-8-14-15-12(10)11(7-9)13(17)16-4-2-3-5-16/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone?
(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 229.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166182991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).