4-(3-chloro-2H-indazol-4-yl)butan-1-amine

C11H14ClN3 — CID 117321071

IUPAC4-(3-chloro-2H-indazol-4-yl)butan-1-amine
SMILESNCCCCc1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C11H14ClN3/c12-11-10-8(4-1-2-7-13)5-3-6-9(10)14-15-11/h3,5-6H,1-2,4,7,13H2,(H,14,15)
InChIKeyHPHYVRCXFYRKHP-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.50
Rot. Bonds4

About 4-(3-chloro-2H-indazol-4-yl)butan-1-amine

4-(3-chloro-2H-indazol-4-yl)butan-1-amine (PubChem CID 117321071) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 4-(3-chloro-2H-indazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-chloro-2H-indazol-4-yl)butan-1-amine
PubChem CID117321071
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name4-(3-chloro-2H-indazol-4-yl)butan-1-amine
SMILESNCCCCc1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C11H14ClN3/c12-11-10-8(4-1-2-7-13)5-3-6-9(10)14-15-11/h3,5-6H,1-2,4,7,13H2,(H,14,15)
InChIKeyHPHYVRCXFYRKHP-UHFFFAOYSA-N
XLogP2.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
CID 117302285
1-[2-(3-chloro-2H-indazol-4-yl)ethyl]cyclopropan-1-amine
CID 105497327
2-(3-fluoro-2H-indazol-4-yl)ethanamine
CID 134477543
2-(4-aminobutyl)-6-chloroaniline
CID 105451896
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
4-(3-chloro-1-methylindol-4-yl)butan-1-amine
CID 117345887
4-quinolin-4-ylbutan-1-amine
CID 10559963
5-quinolin-4-ylpentan-1-amine
CID 71089574
2-(4-bromo-2H-indazol-3-yl)ethanamine
CID 76846274
2-(3-bromo-2H-indazol-4-yl)ethanol
CID 117354283
4-isoquinolin-8-ylbutan-1-amine
CID 82577641
[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine
CID 105468291

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2H-indazol-4-yl)butan-1-amine?
The IUPAC name of 4-(3-chloro-2H-indazol-4-yl)butan-1-amine (CID 117321071) is 4-(3-chloro-2H-indazol-4-yl)butan-1-amine.
What is the SMILES notation for 4-(3-chloro-2H-indazol-4-yl)butan-1-amine?
The canonical SMILES for 4-(3-chloro-2H-indazol-4-yl)butan-1-amine is NCCCCc1cccc2n[nH]c(Cl)c12.
What is the InChIKey of 4-(3-chloro-2H-indazol-4-yl)butan-1-amine?
The InChIKey is HPHYVRCXFYRKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-11-10-8(4-1-2-7-13)5-3-6-9(10)14-15-11/h3,5-6H,1-2,4,7,13H2,(H,14,15).
What are the key properties of 4-(3-chloro-2H-indazol-4-yl)butan-1-amine?
4-(3-chloro-2H-indazol-4-yl)butan-1-amine has a molecular weight of 223.71 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2H-indazol-4-yl)butan-1-amine is sourced from PubChem (CID 117321071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).