1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone

C15H19N3O — CID 94200752

IUPAC1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H19N3O/c1-10(2)13-8-5-9-18(13)15(19)14-11-6-3-4-7-12(11)16-17-14/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyQGEAOSGREJWMIN-ZDUSSCGKSA-N
MW257.34 g/mol
LogP2.82
Rot. Bonds2

About 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone

1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 94200752) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID94200752
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H19N3O/c1-10(2)13-8-5-9-18(13)15(19)14-11-6-3-4-7-12(11)16-17-14/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyQGEAOSGREJWMIN-ZDUSSCGKSA-N
XLogP2.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 49049226
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842
1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
CID 146091978
1H-indazol-3-yl-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124950054
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124693208

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone (CID 94200752) is 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is QGEAOSGREJWMIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)13-8-5-9-18(13)15(19)14-11-6-3-4-7-12(11)16-17-14/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 257.34 g/mol, XLogP of 2.82, 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-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94200752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).