1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine

C12H14ClN3 — CID 105497327

IUPAC1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc3n[nH]c(Cl)c23)CC1
InChIInChI=1S/C12H14ClN3/c13-11-10-8(4-5-12(14)6-7-12)2-1-3-9(10)15-16-11/h1-3H,4-7,14H2,(H,15,16)
InChIKeyFKJANAGTZKYALI-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine

1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine (PubChem CID 105497327) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine
PubChem CID105497327
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2cccc3n[nH]c(Cl)c23)CC1
InChIInChI=1S/C12H14ClN3/c13-11-10-8(4-5-12(14)6-7-12)2-1-3-9(10)15-16-11/h1-3H,4-7,14H2,(H,15,16)
InChIKeyFKJANAGTZKYALI-UHFFFAOYSA-N
XLogP2.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
CID 117302285
4-(3-chloro-2H-indazol-4-yl)butan-1-amine
CID 117321071
1-(2-naphthalen-1-ylethyl)cyclopropan-1-amine
CID 23106129
1-[2-(7-chloro-1H-indol-3-yl)ethyl]cyclopropan-1-amine
CID 105495625
1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
CID 105473191
2-(3-fluoro-2H-indazol-4-yl)ethanamine
CID 134477543
1-[2-(3-chloroimidazo[1,2-a]pyridin-8-yl)ethyl]cyclopropan-1-amine
CID 105497319
1-[2-(2,3-dihydro-1-benzothiophen-7-yl)ethyl]cyclopropan-1-amine
CID 105475037
1-[2-(3-chloro-5-methyl-1H-pyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105452576
1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481536
2-(3-bromo-2H-indazol-4-yl)ethanol
CID 117354283
2-(3-chloro-2H-indazol-4-yl)-2-oxoacetic acid
CID 117322500

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine (CID 105497327) is 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine is NC1(CCc2cccc3n[nH]c(Cl)c23)CC1.
What is the InChIKey of 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine?
The InChIKey is FKJANAGTZKYALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-11-10-8(4-5-12(14)6-7-12)2-1-3-9(10)15-16-11/h1-3H,4-7,14H2,(H,15,16).
What are the key properties of 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine?
1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine has a molecular weight of 235.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105497327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).