1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine

C14H25N3O2 — CID 97338427

IUPAC1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine
SMILESCOCCn1ccc(N[C@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-13(2)10-11(14(3,4)19-13)15-12-6-7-17(16-12)8-9-18-5/h6-7,11H,8-10H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyQTWFTZMVBLVRBQ-NSHDSACASA-N
MW267.37 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine

1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine (PubChem CID 97338427) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine
PubChem CID97338427
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine
SMILESCOCCn1ccc(N[C@H]2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-13(2)10-11(14(3,4)19-13)15-12-6-7-17(16-12)8-9-18-5/h6-7,11H,8-10H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyQTWFTZMVBLVRBQ-NSHDSACASA-N
XLogP2.29
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-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 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine (CID 97338427) is 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine is COCCn1ccc(N[C@H]2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine?
The InChIKey is QTWFTZMVBLVRBQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2)10-11(14(3,4)19-13)15-12-6-7-17(16-12)8-9-18-5/h6-7,11H,8-10H2,1-5H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine?
1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine has a molecular weight of 267.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine is sourced from PubChem (CID 97338427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).