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

C15H19N3O — CID 25059505

IUPACN,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine
SMILESCN(C)CC1OCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-17(2)11-15-13-10-16-18(14(13)8-9-19-15)12-6-4-3-5-7-12/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyPRDZLKBNOKXVEG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.05
Rot. Bonds3

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

N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine (PubChem CID 25059505) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine
PubChem CID25059505
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine
SMILESCN(C)CC1OCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-17(2)11-15-13-10-16-18(14(13)8-9-19-15)12-6-4-3-5-7-12/h3-7,10,15H,8-9,11H2,1-2H3
InChIKeyPRDZLKBNOKXVEG-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine with MolForge

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Related Compounds

1-phenyl-4-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
CID 25059503
1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 83861524
N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 11695647
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721
1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384308
2-[2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethyl]-1,3-dihydroisoindole
CID 11502629
4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole
CID 11524449
4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
CID 72908652
4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol
CID 67812640
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
oxalic acid;1-phenyl-4-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazole
CID 11682746

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine (CID 25059505) is N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine is CN(C)CC1OCCc2c1cnn2-c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine?
The InChIKey is PRDZLKBNOKXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(2)11-15-13-10-16-18(14(13)8-9-19-15)12-6-4-3-5-7-12/h3-7,10,15H,8-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine?
N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-phenyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methanamine is sourced from PubChem (CID 25059505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).