2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide

C11H20N4O — CID 62125646

IUPAC2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cnn(CC)c1
InChIInChI=1S/C11H20N4O/c1-3-5-13-11(16)8-12-6-10-7-14-15(4-2)9-10/h7,9,12H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyQESRQPCVEWUSHQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.52
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide

2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide (PubChem CID 62125646) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
PubChem CID62125646
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cnn(CC)c1
InChIInChI=1S/C11H20N4O/c1-3-5-13-11(16)8-12-6-10-7-14-15(4-2)9-10/h7,9,12H,3-6,8H2,1-2H3,(H,13,16)
InChIKeyQESRQPCVEWUSHQ-UHFFFAOYSA-N
XLogP0.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
2-(1-ethylpyrazol-4-yl)oxy-N-propylacetamide
CID 116804713
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62125827
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide (CID 62125646) is 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide?
The InChIKey is QESRQPCVEWUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-13-11(16)8-12-6-10-7-14-15(4-2)9-10/h7,9,12H,3-6,8H2,1-2H3,(H,13,16).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide?
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide has a molecular weight of 224.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide is sourced from PubChem (CID 62125646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).