2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H21N3O2 — CID 114709910

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1nn(C)cc1C1CC(N)c2cc(OC)ccc2O1
InChIInChI=1S/C16H21N3O2/c1-4-14-12(9-19(2)18-14)16-8-13(17)11-7-10(20-3)5-6-15(11)21-16/h5-7,9,13,16H,4,8,17H2,1-3H3
InChIKeyKJMMTYAONBUQDS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.51
Rot. Bonds3

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

2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709910) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709910
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1nn(C)cc1C1CC(N)c2cc(OC)ccc2O1
InChIInChI=1S/C16H21N3O2/c1-4-14-12(9-19(2)18-14)16-8-13(17)11-7-10(20-3)5-6-15(11)21-16/h5-7,9,13,16H,4,8,17H2,1-3H3
InChIKeyKJMMTYAONBUQDS-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.51
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-ol
CID 114715340
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946903
6-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709037
(4S)-6-bromo-2-(3-ethyl-1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947268
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114674062
(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946805
2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709825
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709851
(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947077
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946486
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114709910) is 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is CCc1nn(C)cc1C1CC(N)c2cc(OC)ccc2O1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KJMMTYAONBUQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-14-12(9-19(2)18-14)16-8-13(17)11-7-10(20-3)5-6-15(11)21-16/h5-7,9,13,16H,4,8,17H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).