1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C19H19N3O — CID 42946266

IUPAC1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-13-8-10-14(11-9-13)17-7-4-12-22(17)19(23)18-15-5-2-3-6-16(15)20-21-18/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,21)
InChIKeyLUMGYUYHIXCOTB-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.85
Rot. Bonds2

About 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone

1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 42946266) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID42946266
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C2CCCN2C(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-13-8-10-14(11-9-13)17-7-4-12-22(17)19(23)18-15-5-2-3-6-16(15)20-21-18/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,21)
InChIKeyLUMGYUYHIXCOTB-UHFFFAOYSA-N
XLogP3.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 70742188
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124950054
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 49049226
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 42946266) is 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc(C2CCCN2C(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is LUMGYUYHIXCOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-8-10-14(11-9-13)17-7-4-12-22(17)19(23)18-15-5-2-3-6-16(15)20-21-18/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,21).
What are the key properties of 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42946266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).