2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide

C10H18N4O — CID 112549216

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
SMILESCCc1nn(C)cc1CNC(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-4-9-8(6-14(3)13-9)5-12-7(2)10(11)15/h6-7,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyBDHUDUHORQARNE-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide (PubChem CID 112549216) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
PubChem CID112549216
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
SMILESCCc1nn(C)cc1CNC(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-4-9-8(6-14(3)13-9)5-12-7(2)10(11)15/h6-7,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyBDHUDUHORQARNE-UHFFFAOYSA-N
XLogP-0.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-pentan-3-ylpropanamide
CID 115886870
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-ynylpropanamide
CID 112549878
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
(3Z)-3-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 112671821
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
2-(butan-2-ylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669166
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
CID 115991428
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115885755
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide (CID 112549216) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide is CCc1nn(C)cc1CNC(C)C(N)=O.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is BDHUDUHORQARNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-9-8(6-14(3)13-9)5-12-7(2)10(11)15/h6-7,12H,4-5H2,1-3H3,(H2,11,15).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide?
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 210.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 112549216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).