4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide

C10H18N4O — CID 106757536

IUPAC4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccnn1C
InChIInChI=1S/C10H18N4O/c1-8(9-5-7-13-14(9)2)12-6-3-4-10(11)15/h5,7-8,12H,3-4,6H2,1-2H3,(H2,11,15)
InChIKeyOJFWMYHLGYLMKL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.34
Rot. Bonds6

About 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide

4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide (PubChem CID 106757536) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
PubChem CID106757536
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1ccnn1C
InChIInChI=1S/C10H18N4O/c1-8(9-5-7-13-14(9)2)12-6-3-4-10(11)15/h5,7-8,12H,3-4,6H2,1-2H3,(H2,11,15)
InChIKeyOJFWMYHLGYLMKL-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 ≤ 500210.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
3-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1-sulfonamide
CID 106757728
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]propyl]methanesulfonamide
CID 107093548
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
CID 106758084
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
3-(4-methylpiperazin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756945
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide?
The IUPAC name of 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide (CID 106757536) is 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide.
What is the SMILES notation for 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide?
The canonical SMILES for 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide is CC(NCCCC(N)=O)c1ccnn1C.
What is the InChIKey of 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide?
The InChIKey is OJFWMYHLGYLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(9-5-7-13-14(9)2)12-6-3-4-10(11)15/h5,7-8,12H,3-4,6H2,1-2H3,(H2,11,15).
What are the key properties of 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide?
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide has a molecular weight of 210.28 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 4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide is sourced from PubChem (CID 106757536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).