1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine

C16H19N3O — CID 62064595

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
SMILESC1=COC(CNCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C16H19N3O/c1-2-8-16(19-10-5-9-18-19)14(6-1)12-17-13-15-7-3-4-11-20-15/h1-2,4-6,8-11,15,17H,3,7,12-13H2
InChIKeyAEWQTILRXJPNDK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.65
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine (PubChem CID 62064595) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
PubChem CID62064595
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
SMILESC1=COC(CNCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C16H19N3O/c1-2-8-16(19-10-5-9-18-19)14(6-1)12-17-13-15-7-3-4-11-20-15/h1-2,4-6,8-11,15,17H,3,7,12-13H2
InChIKeyAEWQTILRXJPNDK-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine (CID 62064595) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine is C1=COC(CNCc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine?
The InChIKey is AEWQTILRXJPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-8-16(19-10-5-9-18-19)14(6-1)12-17-13-15-7-3-4-11-20-15/h1-2,4-6,8-11,15,17H,3,7,12-13H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 62064595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).