cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone

C17H17N3O — CID 79108647

IUPACcyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCn1nc(Cn2ccc(C(=O)C3CC3)c2)c2ccccc21
InChIInChI=1S/C17H17N3O/c1-19-16-5-3-2-4-14(16)15(18-19)11-20-9-8-13(10-20)17(21)12-6-7-12/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyZQKRXAWAVLMEDO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.02
Rot. Bonds4

About cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79108647) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79108647
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Namecyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCn1nc(Cn2ccc(C(=O)C3CC3)c2)c2ccccc21
InChIInChI=1S/C17H17N3O/c1-19-16-5-3-2-4-14(16)15(18-19)11-20-9-8-13(10-20)17(21)12-6-7-12/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyZQKRXAWAVLMEDO-UHFFFAOYSA-N
XLogP3.02
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]ethanone
CID 79106510
3-amino-1-[(1-methylindazol-3-yl)methyl]pyridin-4-one
CID 82990279
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
CID 79097570
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
CID 79097328
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107232
cyclopropyl-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanone
CID 79229049
cyclopropyl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanone
CID 79096993
cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone
CID 79097089
2-(1-methylindazol-3-yl)acetamide
CID 67465474

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone (CID 79108647) is cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone is Cn1nc(Cn2ccc(C(=O)C3CC3)c2)c2ccccc21.
What is the InChIKey of cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is ZQKRXAWAVLMEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19-16-5-3-2-4-14(16)15(18-19)11-20-9-8-13(10-20)17(21)12-6-7-12/h2-5,8-10,12H,6-7,11H2,1H3.
What are the key properties of cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79108647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).