(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

C17H23N3O — CID 105187235

IUPAC(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESCCc1cc(C(N)c2cccc3c2OCCC3)n(CC)n1
InChIInChI=1S/C17H23N3O/c1-3-13-11-15(20(4-2)19-13)16(18)14-9-5-7-12-8-6-10-21-17(12)14/h5,7,9,11,16H,3-4,6,8,10,18H2,1-2H3
InChIKeyAADXKSJSCNZIRC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 105187235) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID105187235
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESCCc1cc(C(N)c2cccc3c2OCCC3)n(CC)n1
InChIInChI=1S/C17H23N3O/c1-3-13-11-15(20(4-2)19-13)16(18)14-9-5-7-12-8-6-10-21-17(12)14/h5,7,9,11,16H,3-4,6,8,10,18H2,1-2H3
InChIKeyAADXKSJSCNZIRC-UHFFFAOYSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine 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 (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 105187235) is (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is CCc1cc(C(N)c2cccc3c2OCCC3)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is AADXKSJSCNZIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-13-11-15(20(4-2)19-13)16(18)14-9-5-7-12-8-6-10-21-17(12)14/h5,7,9,11,16H,3-4,6,8,10,18H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 105187235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).