methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate

C14H15N3O3 — CID 43410192

IUPACmethyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H15N3O3/c1-20-14(19)11-7-4-8-17(11)13(18)12-9-5-2-3-6-10(9)15-16-12/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,16)
InChIKeyAGMWBHAREPBUKL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.34
Rot. Bonds2

About methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 43410192) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID43410192
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H15N3O3/c1-20-14(19)11-7-4-8-17(11)13(18)12-9-5-2-3-6-10(9)15-16-12/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,16)
InChIKeyAGMWBHAREPBUKL-UHFFFAOYSA-N
XLogP1.34
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
[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
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate (CID 43410192) is methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is AGMWBHAREPBUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-14(19)11-7-4-8-17(11)13(18)12-9-5-2-3-6-10(9)15-16-12/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,16).
What are the key properties of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).