1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine

C20H24N4O — CID 49229975

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C20H24N4O/c1-14-18(15(2)25-22-14)12-23(3)13-19-17-10-7-11-20(17)24(21-19)16-8-5-4-6-9-16/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyQWHZOUBWBMFMOO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.60
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine (PubChem CID 49229975) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine
PubChem CID49229975
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C20H24N4O/c1-14-18(15(2)25-22-14)12-23(3)13-19-17-10-7-11-20(17)24(21-19)16-8-5-4-6-9-16/h4-6,8-9H,7,10-13H2,1-3H3
InChIKeyQWHZOUBWBMFMOO-UHFFFAOYSA-N
XLogP3.60
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine (CID 49229975) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine is Cc1noc(C)c1CN(C)Cc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine?
The InChIKey is QWHZOUBWBMFMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-18(15(2)25-22-14)12-23(3)13-19-17-10-7-11-20(17)24(21-19)16-8-5-4-6-9-16/h4-6,8-9H,7,10-13H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine has a molecular weight of 336.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 49229975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).