3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide

C11H20N4O — CID 104666922

IUPAC3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
SMILESCCn1cc(CNC(C)(C)CC(N)=O)cn1
InChIInChI=1S/C11H20N4O/c1-4-15-8-9(7-14-15)6-13-11(2,3)5-10(12)16/h7-8,13H,4-6H2,1-3H3,(H2,12,16)
InChIKeyGPNHMPORQKLDPZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds6

About 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide

3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide (PubChem CID 104666922) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
PubChem CID104666922
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
SMILESCCn1cc(CNC(C)(C)CC(N)=O)cn1
InChIInChI=1S/C11H20N4O/c1-4-15-8-9(7-14-15)6-13-11(2,3)5-10(12)16/h7-8,13H,4-6H2,1-3H3,(H2,12,16)
InChIKeyGPNHMPORQKLDPZ-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-[(1-ethylpyrazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789662
2-ethyl-2-[(1-ethylpyrazol-4-yl)methylamino]butanoic acid
CID 79804266
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571495
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824895
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
ethyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569198
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
methyl (2S)-2-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 94358808

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide (CID 104666922) is 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide is CCn1cc(CNC(C)(C)CC(N)=O)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide?
The InChIKey is GPNHMPORQKLDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-15-8-9(7-14-15)6-13-11(2,3)5-10(12)16/h7-8,13H,4-6H2,1-3H3,(H2,12,16).
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide?
3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide is sourced from PubChem (CID 104666922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).