(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone

C12H14N4O — CID 54944522

IUPAC(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc2[nH]nc(C(=O)N3CCCC3)c2c1
InChIInChI=1S/C12H14N4O/c13-8-3-4-10-9(7-8)11(15-14-10)12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,13H2,(H,14,15)
InChIKeyFRTQSRQFLLMNSN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.38
Rot. Bonds1

About (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone

(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 54944522) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID54944522
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc2[nH]nc(C(=O)N3CCCC3)c2c1
InChIInChI=1S/C12H14N4O/c13-8-3-4-10-9(7-8)11(15-14-10)12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,13H2,(H,14,15)
InChIKeyFRTQSRQFLLMNSN-UHFFFAOYSA-N
XLogP1.38
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993
(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 60905359
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
CID 82571688
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
(3S)-1-(5-methyl-1H-indazole-3-carbonyl)piperidine-3-carboxylic acid
CID 124698920

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone (CID 54944522) is (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone is Nc1ccc2[nH]nc(C(=O)N3CCCC3)c2c1.
What is the InChIKey of (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FRTQSRQFLLMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-8-3-4-10-9(7-8)11(15-14-10)12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6,13H2,(H,14,15).
What are the key properties of (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone?
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 230.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 54944522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).