(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

C14H25N3O — CID 97108447

IUPAC(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1c(CN[C@H]2CC(C)(C)OC2(C)C)cnn1C
InChIInChI=1S/C14H25N3O/c1-10-11(9-16-17(10)6)8-15-12-7-13(2,3)18-14(12,4)5/h9,12,15H,7-8H2,1-6H3/t12-/m0/s1
InChIKeyZTFVLZWJPHGXQQ-LBPRGKRZSA-N
MW251.37 g/mol
LogP2.16
Rot. Bonds3

About (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 97108447) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID97108447
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1c(CN[C@H]2CC(C)(C)OC2(C)C)cnn1C
InChIInChI=1S/C14H25N3O/c1-10-11(9-16-17(10)6)8-15-12-7-13(2,3)18-14(12,4)5/h9,12,15H,7-8H2,1-6H3/t12-/m0/s1
InChIKeyZTFVLZWJPHGXQQ-LBPRGKRZSA-N
XLogP2.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 97108447) is (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is Cc1c(CN[C@H]2CC(C)(C)OC2(C)C)cnn1C.
What is the InChIKey of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is ZTFVLZWJPHGXQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-11(9-16-17(10)6)8-15-12-7-13(2,3)18-14(12,4)5/h9,12,15H,7-8H2,1-6H3/t12-/m0/s1.
What are the key properties of (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 251.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 97108447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).