(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C15H19N3O2 — CID 104946903

IUPAC(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1cn(C)nc1C)O2
InChIInChI=1S/C15H19N3O2/c1-9-12(8-18(2)17-9)15-7-13(16)11-6-10(19-3)4-5-14(11)20-15/h4-6,8,13,15H,7,16H2,1-3H3/t13-,15?/m0/s1
InChIKeyRQTKZGQIDUINMT-CFMCSPIPSA-N
MW273.34 g/mol
LogP2.26
Rot. Bonds2

About (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946903) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946903
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1cn(C)nc1C)O2
InChIInChI=1S/C15H19N3O2/c1-9-12(8-18(2)17-9)15-7-13(16)11-6-10(19-3)4-5-14(11)20-15/h4-6,8,13,15H,7,16H2,1-3H3/t13-,15?/m0/s1
InChIKeyRQTKZGQIDUINMT-CFMCSPIPSA-N
XLogP2.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709910
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946486
(4S)-6-chloro-2-(1,3-dimethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945327
(4R)-2-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944502
2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709825
(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946805
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709851
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947077
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
2-(4-bromo-5-methylthiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846073
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715340

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104946903) is (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@@H](N)CC(c1cn(C)nc1C)O2.
What is the InChIKey of (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RQTKZGQIDUINMT-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-12(8-18(2)17-9)15-7-13(16)11-6-10(19-3)4-5-14(11)20-15/h4-6,8,13,15H,7,16H2,1-3H3/t13-,15?/m0/s1.
What are the key properties of (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).