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

C11H20N4O — CID 103571480

IUPAC4-[(1-propylpyrazol-4-yl)methylamino]butanamide
SMILESCCCn1cc(CNCCCC(N)=O)cn1
InChIInChI=1S/C11H20N4O/c1-2-6-15-9-10(8-14-15)7-13-5-3-4-11(12)16/h8-9,13H,2-7H2,1H3,(H2,12,16)
InChIKeyLYCLPOFFAOROKC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds8

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

4-[(1-propylpyrazol-4-yl)methylamino]butanamide (PubChem CID 103571480) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(1-propylpyrazol-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(1-propylpyrazol-4-yl)methylamino]butanamide
PubChem CID103571480
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[(1-propylpyrazol-4-yl)methylamino]butanamide
SMILESCCCn1cc(CNCCCC(N)=O)cn1
InChIInChI=1S/C11H20N4O/c1-2-6-15-9-10(8-14-15)7-13-5-3-4-11(12)16/h8-9,13H,2-7H2,1H3,(H2,12,16)
InChIKeyLYCLPOFFAOROKC-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
tert-butyl N-[2-[(1-propylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 103740168
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
2-methyl-2-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571495

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylpyrazol-4-yl)methylamino]butanamide?
The IUPAC name of 4-[(1-propylpyrazol-4-yl)methylamino]butanamide (CID 103571480) is 4-[(1-propylpyrazol-4-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(1-propylpyrazol-4-yl)methylamino]butanamide?
The canonical SMILES for 4-[(1-propylpyrazol-4-yl)methylamino]butanamide is CCCn1cc(CNCCCC(N)=O)cn1.
What is the InChIKey of 4-[(1-propylpyrazol-4-yl)methylamino]butanamide?
The InChIKey is LYCLPOFFAOROKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-6-15-9-10(8-14-15)7-13-5-3-4-11(12)16/h8-9,13H,2-7H2,1H3,(H2,12,16).
What are the key properties of 4-[(1-propylpyrazol-4-yl)methylamino]butanamide?
4-[(1-propylpyrazol-4-yl)methylamino]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylpyrazol-4-yl)methylamino]butanamide is sourced from PubChem (CID 103571480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).