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

C14H25N3O — CID 103140670

IUPAC2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine
SMILESCC1CCC(Cn2ccc(CNC(C)(C)C)n2)O1
InChIInChI=1S/C14H25N3O/c1-11-5-6-13(18-11)10-17-8-7-12(16-17)9-15-14(2,3)4/h7-8,11,13,15H,5-6,9-10H2,1-4H3
InChIKeyNNQHNYPJOXSDJV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds4

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

2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 103140670) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine
PubChem CID103140670
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine
SMILESCC1CCC(Cn2ccc(CNC(C)(C)C)n2)O1
InChIInChI=1S/C14H25N3O/c1-11-5-6-13(18-11)10-17-8-7-12(16-17)9-15-14(2,3)4/h7-8,11,13,15H,5-6,9-10H2,1-4H3
InChIKeyNNQHNYPJOXSDJV-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine (CID 103140670) is 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine is CC1CCC(Cn2ccc(CNC(C)(C)C)n2)O1.
What is the InChIKey of 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is NNQHNYPJOXSDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-5-6-13(18-11)10-17-8-7-12(16-17)9-15-14(2,3)4/h7-8,11,13,15H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(5-methyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 103140670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).