N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine

C12H21N3O — CID 103139387

IUPACN-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(CC2CCC(C)O2)c1
InChIInChI=1S/C12H21N3O/c1-9-4-5-12(16-9)8-15-7-11(6-14-15)10(2)13-3/h6-7,9-10,12-13H,4-5,8H2,1-3H3
InChIKeyMMHLQXOJEKPBID-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine

N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine (PubChem CID 103139387) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine
PubChem CID103139387
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(CC2CCC(C)O2)c1
InChIInChI=1S/C12H21N3O/c1-9-4-5-12(16-9)8-15-7-11(6-14-15)10(2)13-3/h6-7,9-10,12-13H,4-5,8H2,1-3H3
InChIKeyMMHLQXOJEKPBID-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine (CID 103139387) is N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine is CNC(C)c1cnn(CC2CCC(C)O2)c1.
What is the InChIKey of N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine?
The InChIKey is MMHLQXOJEKPBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-4-5-12(16-9)8-15-7-11(6-14-15)10(2)13-3/h6-7,9-10,12-13H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine?
N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 103139387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).