4-[(1-ethylpyrazol-4-yl)methylamino]butanamide

C10H18N4O — CID 62126521

IUPAC4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
SMILESCCn1cc(CNCCCC(N)=O)cn1
InChIInChI=1S/C10H18N4O/c1-2-14-8-9(7-13-14)6-12-5-3-4-10(11)15/h7-8,12H,2-6H2,1H3,(H2,11,15)
InChIKeyLIOCAVFUTJIEQS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.26
Rot. Bonds7

About 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide

4-[(1-ethylpyrazol-4-yl)methylamino]butanamide (PubChem CID 62126521) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
PubChem CID62126521
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
SMILESCCn1cc(CNCCCC(N)=O)cn1
InChIInChI=1S/C10H18N4O/c1-2-14-8-9(7-13-14)6-12-5-3-4-10(11)15/h7-8,12H,2-6H2,1H3,(H2,11,15)
InChIKeyLIOCAVFUTJIEQS-UHFFFAOYSA-N
XLogP0.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62125827
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 104666922
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
4-[(1-benzylpyrazol-4-yl)methylamino]butanoic acid
CID 60782827
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62126706

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide (CID 62126521) is 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide is CCn1cc(CNCCCC(N)=O)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide?
The InChIKey is LIOCAVFUTJIEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-14-8-9(7-13-14)6-12-5-3-4-10(11)15/h7-8,12H,2-6H2,1H3,(H2,11,15).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide?
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methylamino]butanamide is sourced from PubChem (CID 62126521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).