1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine

C12H14ClN3 — CID 117344020

IUPAC1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine
SMILESNC1(c2ccc3c(Cl)[nH]nc3c2)CCCC1
InChIInChI=1S/C12H14ClN3/c13-11-9-4-3-8(7-10(9)15-16-11)12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,14H2,(H,15,16)
InChIKeyJZLMJTQQRPUUDK-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.94
Rot. Bonds1

About 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine

1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine (PubChem CID 117344020) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine
PubChem CID117344020
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine
SMILESNC1(c2ccc3c(Cl)[nH]nc3c2)CCCC1
InChIInChI=1S/C12H14ClN3/c13-11-9-4-3-8(7-10(9)15-16-11)12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,14H2,(H,15,16)
InChIKeyJZLMJTQQRPUUDK-UHFFFAOYSA-N
XLogP2.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(3-cyclobutyl-2H-indazol-5-yl)cyclopropan-1-amine
CID 105484835
1-(3-chloro-1H-indol-6-yl)cyclobutan-1-amine
CID 117315066
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
1-(3-chloro-1H-indol-5-yl)cyclobutan-1-amine
CID 117315065
1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
CID 117344068
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
4-(3,4-dichlorophenyl)piperidin-4-amine
CID 118021104
1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclohexan-1-amine
CID 117447117
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexan-1-amine
CID 117459990
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine?
The IUPAC name of 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine (CID 117344020) is 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine is NC1(c2ccc3c(Cl)[nH]nc3c2)CCCC1.
What is the InChIKey of 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine?
The InChIKey is JZLMJTQQRPUUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-11-9-4-3-8(7-10(9)15-16-11)12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,14H2,(H,15,16).
What are the key properties of 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine?
1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine has a molecular weight of 235.72 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine is sourced from PubChem (CID 117344020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).