3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one

C10H10ClN3O — CID 117320937

IUPAC3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one
SMILESNCCC(=O)c1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C10H10ClN3O/c11-10-7-2-1-6(9(15)3-4-12)5-8(7)13-14-10/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyCVCKXZXGQLJSSI-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.75
Rot. Bonds3

About 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one

3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one (PubChem CID 117320937) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one
PubChem CID117320937
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one
SMILESNCCC(=O)c1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C10H10ClN3O/c11-10-7-2-1-6(9(15)3-4-12)5-8(7)13-14-10/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyCVCKXZXGQLJSSI-UHFFFAOYSA-N
XLogP1.75
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
1-(3-chloro-2H-indazol-5-yl)ethanone
CID 69031597
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
N-[(3-chloro-2H-indazol-6-yl)methyl]hydroxylamine
CID 117287420
ethyl 3-(3-chloro-2H-indazol-5-yl)-3-phenylprop-2-enoate
CID 67356432
3-amino-1-[3-chloro-4-(dimethylamino)phenyl]propan-1-one
CID 117325981
1-(3-chloro-2H-indazol-6-yl)cyclopentan-1-amine
CID 117344020
3-(aminomethyl)-2H-indazole-5-carboxylic acid
CID 83483911
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
(3S)-3-(3-chloro-2H-indazol-5-yl)-3-phenylpropanoic acid
CID 71188458
3-chloro-5,6-dimethyl-2H-indazole
CID 130053419
sodium;3-chloro-6-nitro-2H-indazole;hydride
CID 174516913

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one (CID 117320937) is 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one is NCCC(=O)c1ccc2c(Cl)[nH]nc2c1.
What is the InChIKey of 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one?
The InChIKey is CVCKXZXGQLJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-10-7-2-1-6(9(15)3-4-12)5-8(7)13-14-10/h1-2,5H,3-4,12H2,(H,13,14).
What are the key properties of 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one?
3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one has a molecular weight of 223.66 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one is sourced from PubChem (CID 117320937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).