5-pyrrolidin-3-yl-1H-indazole

C11H13N3 — CID 82405322

IUPAC5-pyrrolidin-3-yl-1H-indazole
SMILESc1cc2[nH]ncc2cc1C1CCNC1
InChIInChI=1S/C11H13N3/c1-2-11-10(7-13-14-11)5-8(1)9-3-4-12-6-9/h1-2,5,7,9,12H,3-4,6H2,(H,13,14)
InChIKeyBHPUQJVNFVTLJE-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.64
Rot. Bonds1

About 5-pyrrolidin-3-yl-1H-indazole

5-pyrrolidin-3-yl-1H-indazole (PubChem CID 82405322) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1H-indazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1H-indazole
PubChem CID82405322
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-pyrrolidin-3-yl-1H-indazole
SMILESc1cc2[nH]ncc2cc1C1CCNC1
InChIInChI=1S/C11H13N3/c1-2-11-10(7-13-14-11)5-8(1)9-3-4-12-6-9/h1-2,5,7,9,12H,3-4,6H2,(H,13,14)
InChIKeyBHPUQJVNFVTLJE-UHFFFAOYSA-N
XLogP1.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indazol-5-yl)piperidine-3-carboxylic acid
CID 82385038
5-pyrrolidin-2-yl-1H-indazole
CID 82602484
6-pyrrolidin-3-yl-1H-indole
CID 82602367
5-pyrrolidin-3-yl-2,1-benzoxazole
CID 82405036
5-(piperidin-3-ylmethoxy)-1H-indazole
CID 117051742
N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride
CID 117073123
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 142594027
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
5-pyrrolidin-3-ylpyrimidine
CID 66996535
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide;4-cyclobutyl-2-methyl-5-(methylcarbamoyl)benzoic acid;5-piperidin-4-yl-1H-indazole
CID 160528771

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1H-indazole?
The IUPAC name of 5-pyrrolidin-3-yl-1H-indazole (CID 82405322) is 5-pyrrolidin-3-yl-1H-indazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1H-indazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1H-indazole is c1cc2[nH]ncc2cc1C1CCNC1.
What is the InChIKey of 5-pyrrolidin-3-yl-1H-indazole?
The InChIKey is BHPUQJVNFVTLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-11-10(7-13-14-11)5-8(1)9-3-4-12-6-9/h1-2,5,7,9,12H,3-4,6H2,(H,13,14).
What are the key properties of 5-pyrrolidin-3-yl-1H-indazole?
5-pyrrolidin-3-yl-1H-indazole has a molecular weight of 187.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1H-indazole is sourced from PubChem (CID 82405322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).