N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine

C14H25N3O — CID 164639531

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
SMILESCCn1ccc(CN(C)CC[C@H]2CCCCO2)n1
InChIInChI=1S/C14H25N3O/c1-3-17-10-7-13(15-17)12-16(2)9-8-14-6-4-5-11-18-14/h7,10,14H,3-6,8-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDSCLSBZSPIVPFT-CQSZACIVSA-N
MW251.37 g/mol
LogP2.29
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine (PubChem CID 164639531) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
PubChem CID164639531
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
SMILESCCn1ccc(CN(C)CC[C@H]2CCCCO2)n1
InChIInChI=1S/C14H25N3O/c1-3-17-10-7-13(15-17)12-16(2)9-8-14-6-4-5-11-18-14/h7,10,14H,3-6,8-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDSCLSBZSPIVPFT-CQSZACIVSA-N
XLogP2.29
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine (CID 164639531) is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine is CCn1ccc(CN(C)CC[C@H]2CCCCO2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
The InChIKey is DSCLSBZSPIVPFT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-17-10-7-13(15-17)12-16(2)9-8-14-6-4-5-11-18-14/h7,10,14H,3-6,8-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine?
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine is sourced from PubChem (CID 164639531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).