2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C15H19N3O2 — CID 114709825

IUPAC2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N)CC(c1cnn(C)c1C)O2
InChIInChI=1S/C15H19N3O2/c1-9-12(8-17-18(9)2)15-7-13(16)11-6-10(19-3)4-5-14(11)20-15/h4-6,8,13,15H,7,16H2,1-3H3
InChIKeyWRRKGXHLMCDODK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.26
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709825) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709825
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N)CC(c1cnn(C)c1C)O2
InChIInChI=1S/C15H19N3O2/c1-9-12(8-17-18(9)2)15-7-13(16)11-6-10(19-3)4-5-14(11)20-15/h4-6,8,13,15H,7,16H2,1-3H3
InChIKeyWRRKGXHLMCDODK-UHFFFAOYSA-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

(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946903
(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947077
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709851
(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946805
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709910
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4S)-6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946802
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
(4S)-2-(3,5-dibromo-2-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946759
(4R)-2-(2,6-difluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947106

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114709825) is 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(N)CC(c1cnn(C)c1C)O2.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WRRKGXHLMCDODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-12(8-17-18(9)2)15-7-13(16)11-6-10(19-3)4-5-14(11)20-15/h4-6,8,13,15H,7,16H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-(1,5-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 2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).