3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide

C10H16N4O — CID 106937399

IUPAC3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
SMILESC=Cn1cc(CNC(C)CC(N)=O)cn1
InChIInChI=1S/C10H16N4O/c1-3-14-7-9(6-13-14)5-12-8(2)4-10(11)15/h3,6-8,12H,1,4-5H2,2H3,(H2,11,15)
InChIKeyXRCUONGQXXOKSP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.34
Rot. Bonds6

About 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide

3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide (PubChem CID 106937399) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
PubChem CID106937399
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
SMILESC=Cn1cc(CNC(C)CC(N)=O)cn1
InChIInChI=1S/C10H16N4O/c1-3-14-7-9(6-13-14)5-12-8(2)4-10(11)15/h3,6-8,12H,1,4-5H2,2H3,(H2,11,15)
InChIKeyXRCUONGQXXOKSP-UHFFFAOYSA-N
XLogP0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
CID 106936687
methyl (2S)-2-[(1-ethenylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 106936086
3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
CID 106937227
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 106936984
2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204
N-[(1-ethenylpyrazol-4-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 106937397
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
3-[(1-ethenylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 106936202
N-[(1-ethenylpyrazol-4-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 106937386
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide?
The IUPAC name of 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide (CID 106937399) is 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide.
What is the SMILES notation for 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide?
The canonical SMILES for 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide is C=Cn1cc(CNC(C)CC(N)=O)cn1.
What is the InChIKey of 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide?
The InChIKey is XRCUONGQXXOKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-14-7-9(6-13-14)5-12-8(2)4-10(11)15/h3,6-8,12H,1,4-5H2,2H3,(H2,11,15).
What are the key properties of 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide?
3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide has a molecular weight of 208.26 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide is sourced from PubChem (CID 106937399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).