1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

C11H16N4O — CID 103096833

IUPAC1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCn1cc(CNCc2ncc(C)o2)cn1
InChIInChI=1S/C11H16N4O/c1-3-15-8-10(6-14-15)5-12-7-11-13-4-9(2)16-11/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyKQKSKKWSIXDBRI-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.49
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103096833) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103096833
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCn1cc(CNCc2ncc(C)o2)cn1
InChIInChI=1S/C11H16N4O/c1-3-15-8-10(6-14-15)5-12-7-11-13-4-9(2)16-11/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyKQKSKKWSIXDBRI-UHFFFAOYSA-N
XLogP1.49
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275502
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 113252142
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 115914400
1-(5-bromo-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275561

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103096833) is 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is CCn1cc(CNCc2ncc(C)o2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is KQKSKKWSIXDBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-15-8-10(6-14-15)5-12-7-11-13-4-9(2)16-11/h4,6,8,12H,3,5,7H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 220.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103096833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).