N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine

C16H21N3O — CID 25060019

IUPACN,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine
SMILESCN(C)CCC1OCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H21N3O/c1-18(2)10-8-16-14-12-17-19(15(14)9-11-20-16)13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyPYZXGBZGLUSWBU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds4

About N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine

N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine (PubChem CID 25060019) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine
PubChem CID25060019
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine
SMILESCN(C)CCC1OCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C16H21N3O/c1-18(2)10-8-16-14-12-17-19(15(14)9-11-20-16)13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3
InChIKeyPYZXGBZGLUSWBU-UHFFFAOYSA-N
XLogP2.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine (CID 25060019) is N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine is CN(C)CCC1OCCc2c1cnn2-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine?
The InChIKey is PYZXGBZGLUSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(2)10-8-16-14-12-17-19(15(14)9-11-20-16)13-6-4-3-5-7-13/h3-7,12,16H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine?
N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)ethanamine is sourced from PubChem (CID 25060019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).