N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

C17H27N5O2 — CID 167753178

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCCc1nn(C)c(OC)c1CNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C17H27N5O2/c1-5-14-13(17(23-4)22(3)20-14)9-19-12-6-7-24-16(8-12)15-10-18-11-21(15)2/h10-12,16,19H,5-9H2,1-4H3
InChIKeyDTRHWMYORPJMDL-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.73
Rot. Bonds6

About N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 167753178) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID167753178
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCCc1nn(C)c(OC)c1CNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C17H27N5O2/c1-5-14-13(17(23-4)22(3)20-14)9-19-12-6-7-24-16(8-12)15-10-18-11-21(15)2/h10-12,16,19H,5-9H2,1-4H3
InChIKeyDTRHWMYORPJMDL-UHFFFAOYSA-N
XLogP1.73
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 167753178) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is CCc1nn(C)c(OC)c1CNC1CCOC(c2cncn2C)C1.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is DTRHWMYORPJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-5-14-13(17(23-4)22(3)20-14)9-19-12-6-7-24-16(8-12)15-10-18-11-21(15)2/h10-12,16,19H,5-9H2,1-4H3.
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine has a molecular weight of 333.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 167753178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).