N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C15H19N3O — CID 134792279

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCN(Cc1ccnn1C)C1CCOc2ccccc21
InChIInChI=1S/C15H19N3O/c1-17(11-12-7-9-16-18(12)2)14-8-10-19-15-6-4-3-5-13(14)15/h3-7,9,14H,8,10-11H2,1-2H3
InChIKeyOCCFKQJTLSCPCM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds3

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 134792279) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID134792279
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCN(Cc1ccnn1C)C1CCOc2ccccc21
InChIInChI=1S/C15H19N3O/c1-17(11-12-7-9-16-18(12)2)14-8-10-19-15-6-4-3-5-13(14)15/h3-7,9,14H,8,10-11H2,1-2H3
InChIKeyOCCFKQJTLSCPCM-UHFFFAOYSA-N
XLogP2.38
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 134792279) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is CN(Cc1ccnn1C)C1CCOc2ccccc21.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OCCFKQJTLSCPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(11-12-7-9-16-18(12)2)14-8-10-19-15-6-4-3-5-13(14)15/h3-7,9,14H,8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 134792279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).