1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C14H25N3O — CID 129001468

IUPAC1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-10-12(9-16-17-10)8-15-7-11-5-6-18-13(11)14(2,3)4/h9,11,13,15H,5-8H2,1-4H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyYDPZFVIAZBMDOP-YPMHNXCESA-N
MW251.37 g/mol
LogP2.26
Rot. Bonds4

About 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 129001468) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID129001468
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C14H25N3O/c1-10-12(9-16-17-10)8-15-7-11-5-6-18-13(11)14(2,3)4/h9,11,13,15H,5-8H2,1-4H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyYDPZFVIAZBMDOP-YPMHNXCESA-N
XLogP2.26
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 129005255
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353437
1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60857021
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 93257811
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine
CID 129001955
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 43663587
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981
2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 129001467
N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79368939

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 129001468) is 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1[nH]ncc1CNC[C@H]1CCO[C@@H]1C(C)(C)C.
What is the InChIKey of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is YDPZFVIAZBMDOP-YPMHNXCESA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-12(9-16-17-10)8-15-7-11-5-6-18-13(11)14(2,3)4/h9,11,13,15H,5-8H2,1-4H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 251.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 129001468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).