5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine

C14H15ClN4O — CID 84743751

IUPAC5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
SMILESCOc1cc2c(-c3cc(N)n[nH]3)c(C)n(C)c2cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-7-14(10-6-13(16)18-17-10)8-4-12(20-3)9(15)5-11(8)19(7)2/h4-6H,1-3H3,(H3,16,17,18)
InChIKeyIODCKPJRHZBZKF-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.12
Rot. Bonds2

About 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine

5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine (PubChem CID 84743751) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
PubChem CID84743751
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
SMILESCOc1cc2c(-c3cc(N)n[nH]3)c(C)n(C)c2cc1Cl
InChIInChI=1S/C14H15ClN4O/c1-7-14(10-6-13(16)18-17-10)8-4-12(20-3)9(15)5-11(8)19(7)2/h4-6H,1-3H3,(H3,16,17,18)
InChIKeyIODCKPJRHZBZKF-UHFFFAOYSA-N
XLogP3.12
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
5-(1,2,5,7-tetramethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742208
5-(1,2-dimethyl-5-propan-2-ylindol-3-yl)-1H-pyrazol-3-amine
CID 84743031
5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942315
5-(7-ethyl-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742218
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117476497
5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117421240
ethyl 2-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)acetate
CID 143225852

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine (CID 84743751) is 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine is COc1cc2c(-c3cc(N)n[nH]3)c(C)n(C)c2cc1Cl.
What is the InChIKey of 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is IODCKPJRHZBZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-7-14(10-6-13(16)18-17-10)8-4-12(20-3)9(15)5-11(8)19(7)2/h4-6H,1-3H3,(H3,16,17,18).
What are the key properties of 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine?
5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 290.75 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 84743751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).