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

C11H12ClN3 — CID 86133724

IUPAC5-chloro-3-pyrrolidin-1-yl-1H-indazole
SMILESClc1ccc2[nH]nc(N3CCCC3)c2c1
InChIInChI=1S/C11H12ClN3/c12-8-3-4-10-9(7-8)11(14-13-10)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyBACDZDNRQYFTTL-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.82
Rot. Bonds1

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

5-chloro-3-pyrrolidin-1-yl-1H-indazole (PubChem CID 86133724) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-chloro-3-pyrrolidin-1-yl-1H-indazole.

Molecular Properties

Compound Name5-chloro-3-pyrrolidin-1-yl-1H-indazole
PubChem CID86133724
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-chloro-3-pyrrolidin-1-yl-1H-indazole
SMILESClc1ccc2[nH]nc(N3CCCC3)c2c1
InChIInChI=1S/C11H12ClN3/c12-8-3-4-10-9(7-8)11(14-13-10)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyBACDZDNRQYFTTL-UHFFFAOYSA-N
XLogP2.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-piperidin-1-yl-1H-indazole-5-sulfinic acid
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2,6-dichloro-4-pyrrolidin-1-ylquinazoline
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3-(4-ethylpiperazin-1-yl)-5-iodo-1H-indazole
CID 58042236
N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
CID 24988747
5-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314805
5-chloro-3-methylsulfanyl-1H-indazole
CID 147556116
5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
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CID 715752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-pyrrolidin-1-yl-1H-indazole?
The IUPAC name of 5-chloro-3-pyrrolidin-1-yl-1H-indazole (CID 86133724) is 5-chloro-3-pyrrolidin-1-yl-1H-indazole.
What is the SMILES notation for 5-chloro-3-pyrrolidin-1-yl-1H-indazole?
The canonical SMILES for 5-chloro-3-pyrrolidin-1-yl-1H-indazole is Clc1ccc2[nH]nc(N3CCCC3)c2c1.
What is the InChIKey of 5-chloro-3-pyrrolidin-1-yl-1H-indazole?
The InChIKey is BACDZDNRQYFTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-8-3-4-10-9(7-8)11(14-13-10)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14).
What are the key properties of 5-chloro-3-pyrrolidin-1-yl-1H-indazole?
5-chloro-3-pyrrolidin-1-yl-1H-indazole has a molecular weight of 221.69 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-pyrrolidin-1-yl-1H-indazole is sourced from PubChem (CID 86133724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).