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

C14H15N3O3 — CID 47340273

IUPACmethyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)9-6-7-17(8-9)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyJAMIHBWTAVQFMR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.20
Rot. Bonds2

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

methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 47340273) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
PubChem CID47340273
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C14H15N3O3/c1-20-14(19)9-6-7-17(8-9)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyJAMIHBWTAVQFMR-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 16866419
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354980
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate (CID 47340273) is methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is JAMIHBWTAVQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-14(19)9-6-7-17(8-9)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.20, 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-3-carboxylate is sourced from PubChem (CID 47340273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).