(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H15N3O3 — CID 129469253

IUPAC(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2cccc3[nH]ncc23)C1
InChIInChI=1S/C14H15N3O3/c1-14(13(19)20)5-6-17(8-14)12(18)9-3-2-4-11-10(9)7-15-16-11/h2-4,7H,5-6,8H2,1H3,(H,15,16)(H,19,20)/t14-/m1/s1
InChIKeyHLKMIDNAKZBIHJ-CQSZACIVSA-N
MW273.29 g/mol
LogP1.50
Rot. Bonds2

About (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 129469253) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID129469253
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2cccc3[nH]ncc23)C1
InChIInChI=1S/C14H15N3O3/c1-14(13(19)20)5-6-17(8-14)12(18)9-3-2-4-11-10(9)7-15-16-11/h2-4,7H,5-6,8H2,1H3,(H,15,16)(H,19,20)/t14-/m1/s1
InChIKeyHLKMIDNAKZBIHJ-CQSZACIVSA-N
XLogP1.50
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146607
1-[9-(1H-indazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethanone
CID 171674639
3-methyl-1-(1-methylindole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256600
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
3-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529180
3-methyl-1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63652775
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257549
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 129469253) is (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is C[C@@]1(C(=O)O)CCN(C(=O)c2cccc3[nH]ncc23)C1.
What is the InChIKey of (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HLKMIDNAKZBIHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(13(19)20)5-6-17(8-14)12(18)9-3-2-4-11-10(9)7-15-16-11/h2-4,7H,5-6,8H2,1H3,(H,15,16)(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129469253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).