4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide

C11H20N4O2 — CID 114227576

IUPAC4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C11H20N4O2/c1-4-17-9(6-12)5-11(16)13-10-7-15(3)14-8(10)2/h7,9H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyQIPZTSKHKNSTCD-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.42
Rot. Bonds6

About 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide

4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide (PubChem CID 114227576) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
PubChem CID114227576
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)Nc1cn(C)nc1C
InChIInChI=1S/C11H20N4O2/c1-4-17-9(6-12)5-11(16)13-10-7-15(3)14-8(10)2/h7,9H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyQIPZTSKHKNSTCD-UHFFFAOYSA-N
XLogP0.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide
CID 56873173
N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide
CID 126816191
(3R)-N-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 137999999
(3S)-N-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 164641871
N-(1,3-dimethylpyrazol-4-yl)-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]acetamide
CID 95553043
N-(1,3-dimethylpyrazol-4-yl)-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]acetamide
CID 95553044
Ethyl 3-[(1,3-dimethylpyrazol-4-yl)amino]-2,2-difluoro-3-oxopropanoate
CID 112743130
4-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methoxybutanamide
CID 120592698
2-amino-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-3-methoxypropanamide
CID 120993705
4-Amino-1-(2-fluoroethyl)-N-(3-isopropoxypropyl)-1H-pyrazole-3-carboxamide
CID 132586591
N-(1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 137840537
N-(1,3-dimethylpyrazol-4-yl)propanamide
CID 19346268

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide?
The IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide (CID 114227576) is 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide.
What is the SMILES notation for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide?
The canonical SMILES for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide is CCOC(CN)CC(=O)Nc1cn(C)nc1C.
What is the InChIKey of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide?
The InChIKey is QIPZTSKHKNSTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-17-9(6-12)5-11(16)13-10-7-15(3)14-8(10)2/h7,9H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide?
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide has a molecular weight of 240.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide is sourced from PubChem (CID 114227576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).