(2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine

C15H26ClN3O — CID 97338204

IUPAC(2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine
SMILESCc1nn(C)c(Cl)c1CN[C@H]1CCO[C@H](CC(C)C)C1
InChIInChI=1S/C15H26ClN3O/c1-10(2)7-13-8-12(5-6-20-13)17-9-14-11(3)18-19(4)15(14)16/h10,12-13,17H,5-9H2,1-4H3/t12-,13+/m0/s1
InChIKeyVGEGFDUJGRNSOG-QWHCGFSZSA-N
MW299.85 g/mol
LogP3.07
Rot. Bonds5

About (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine

(2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine (PubChem CID 97338204) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine.

Molecular Properties

Compound Name(2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine
PubChem CID97338204
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name(2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine
SMILESCc1nn(C)c(Cl)c1CN[C@H]1CCO[C@H](CC(C)C)C1
InChIInChI=1S/C15H26ClN3O/c1-10(2)7-13-8-12(5-6-20-13)17-9-14-11(3)18-19(4)15(14)16/h10,12-13,17H,5-9H2,1-4H3/t12-,13+/m0/s1
InChIKeyVGEGFDUJGRNSOG-QWHCGFSZSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-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

Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxan-3-amine
CID 115616397
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105035095
3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[2-(2-methylpropyl)oxan-4-yl]prop-2-enamide
CID 91943983
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 113352478
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105034953
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105035142
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47271585
2-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpentan-1-amine
CID 107155986

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine?
The IUPAC name of (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine (CID 97338204) is (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine.
What is the SMILES notation for (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine?
The canonical SMILES for (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine is Cc1nn(C)c(Cl)c1CN[C@H]1CCO[C@H](CC(C)C)C1.
What is the InChIKey of (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine?
The InChIKey is VGEGFDUJGRNSOG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-10(2)7-13-8-12(5-6-20-13)17-9-14-11(3)18-19(4)15(14)16/h10,12-13,17H,5-9H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine?
(2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine has a molecular weight of 299.85 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)oxan-4-amine is sourced from PubChem (CID 97338204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).