3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole

C19H25N3O — CID 99945990

IUPAC3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CN(C[C@@]3(c4ccccc4)CCOC3)C2)n1
InChIInChI=1S/C19H25N3O/c1-15-10-16(2)22(20-15)18-11-21(12-18)13-19(8-9-23-14-19)17-6-4-3-5-7-17/h3-7,10,18H,8-9,11-14H2,1-2H3/t19-/m0/s1
InChIKeyZUCKWGXNABWJBV-IBGZPJMESA-N
MW311.43 g/mol
LogP2.71
Rot. Bonds4

About 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole

3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole (PubChem CID 99945990) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole
PubChem CID99945990
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole
SMILESCc1cc(C)n(C2CN(C[C@@]3(c4ccccc4)CCOC3)C2)n1
InChIInChI=1S/C19H25N3O/c1-15-10-16(2)22(20-15)18-11-21(12-18)13-19(8-9-23-14-19)17-6-4-3-5-7-17/h3-7,10,18H,8-9,11-14H2,1-2H3/t19-/m0/s1
InChIKeyZUCKWGXNABWJBV-IBGZPJMESA-N
XLogP2.71
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole 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 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole (CID 99945990) is 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole is Cc1cc(C)n(C2CN(C[C@@]3(c4ccccc4)CCOC3)C2)n1.
What is the InChIKey of 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole?
The InChIKey is ZUCKWGXNABWJBV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-10-16(2)22(20-15)18-11-21(12-18)13-19(8-9-23-14-19)17-6-4-3-5-7-17/h3-7,10,18H,8-9,11-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole?
3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole has a molecular weight of 311.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 99945990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).