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

C14H17N3O — CID 114709720

IUPAC6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1cnn(C)c1)O2
InChIInChI=1S/C14H17N3O/c1-9-3-4-13-11(5-9)12(15)6-14(18-13)10-7-16-17(2)8-10/h3-5,7-8,12,14H,6,15H2,1-2H3
InChIKeyORGRCZKGUSBZCV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.25
Rot. Bonds1

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

6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709720) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709720
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(c1cnn(C)c1)O2
InChIInChI=1S/C14H17N3O/c1-9-3-4-13-11(5-9)12(15)6-14(18-13)10-7-16-17(2)8-10/h3-5,7-8,12,14H,6,15H2,1-2H3
InChIKeyORGRCZKGUSBZCV-UHFFFAOYSA-N
XLogP2.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114709720) is 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)C(N)CC(c1cnn(C)c1)O2.
What is the InChIKey of 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ORGRCZKGUSBZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-3-4-13-11(5-9)12(15)6-14(18-13)10-7-16-17(2)8-10/h3-5,7-8,12,14H,6,15H2,1-2H3.
What are the key properties of 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).