(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine

C20H29N3O2 — CID 99929184

IUPAC(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine
SMILESCOc1ccc(CN(C)[C@@H]2CCOC(C)(C)C2)cc1Cn1cccn1
InChIInChI=1S/C20H29N3O2/c1-20(2)13-18(8-11-25-20)22(3)14-16-6-7-19(24-4)17(12-16)15-23-10-5-9-21-23/h5-7,9-10,12,18H,8,11,13-15H2,1-4H3/t18-/m1/s1
InChIKeyULEOBWMKHAGZOY-GOSISDBHSA-N
MW343.47 g/mol
LogP3.33
Rot. Bonds6

About (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine

(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine (PubChem CID 99929184) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine.

Molecular Properties

Compound Name(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine
PubChem CID99929184
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine
SMILESCOc1ccc(CN(C)[C@@H]2CCOC(C)(C)C2)cc1Cn1cccn1
InChIInChI=1S/C20H29N3O2/c1-20(2)13-18(8-11-25-20)22(3)14-16-6-7-19(24-4)17(12-16)15-23-10-5-9-21-23/h5-7,9-10,12,18H,8,11,13-15H2,1-4H3/t18-/m1/s1
InChIKeyULEOBWMKHAGZOY-GOSISDBHSA-N
XLogP3.33
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine 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 (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine?
The IUPAC name of (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine (CID 99929184) is (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine.
What is the SMILES notation for (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine?
The canonical SMILES for (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine is COc1ccc(CN(C)[C@@H]2CCOC(C)(C)C2)cc1Cn1cccn1.
What is the InChIKey of (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine?
The InChIKey is ULEOBWMKHAGZOY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(2)13-18(8-11-25-20)22(3)14-16-6-7-19(24-4)17(12-16)15-23-10-5-9-21-23/h5-7,9-10,12,18H,8,11,13-15H2,1-4H3/t18-/m1/s1.
What are the key properties of (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine?
(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine has a molecular weight of 343.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine is sourced from PubChem (CID 99929184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).