2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine

C15H27N3O — CID 103140628

IUPAC2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(CC2CCC(C)O2)cc1CNC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11-6-7-14(19-11)10-18-9-13(12(2)17-18)8-16-15(3,4)5/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyQSZBCUKWNVCZER-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds4

About 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 103140628) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID103140628
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(CC2CCC(C)O2)cc1CNC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11-6-7-14(19-11)10-18-9-13(12(2)17-18)8-16-15(3,4)5/h9,11,14,16H,6-8,10H2,1-5H3
InChIKeyQSZBCUKWNVCZER-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine (CID 103140628) is 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(CC2CCC(C)O2)cc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is QSZBCUKWNVCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-6-7-14(19-11)10-18-9-13(12(2)17-18)8-16-15(3,4)5/h9,11,14,16H,6-8,10H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 103140628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).