2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide

C9H16N4O — CID 165472875

IUPAC2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cc(N)c(C)n1
InChIInChI=1S/C9H16N4O/c1-4-11-9(14)7(3)13-5-8(10)6(2)12-13/h5,7H,4,10H2,1-3H3,(H,11,14)
InChIKeyBSDXEQLZRVXCPZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.47
Rot. Bonds3

About 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide

2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide (PubChem CID 165472875) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
PubChem CID165472875
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1cc(N)c(C)n1
InChIInChI=1S/C9H16N4O/c1-4-11-9(14)7(3)13-5-8(10)6(2)12-13/h5,7H,4,10H2,1-3H3,(H,11,14)
InChIKeyBSDXEQLZRVXCPZ-UHFFFAOYSA-N
XLogP0.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
2-(3-amino-1,2,4-triazol-1-yl)-N-ethylpropanamide
CID 60910688
2-(4-amino-3-methylpyrazol-1-yl)butanoic acid
CID 165480611
ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
2-(4-amino-3-methylpyrazol-1-yl)-N-ethyl-2-methylpropanamide
CID 90104757
3-methyl-1-pentan-3-ylpyrazol-4-amine
CID 79421536
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
CID 63338077
2-(4-aminotriazol-2-yl)-N-ethylpropanamide
CID 165480792
4-amino-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344126
2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 102548566
N-ethyl-2-pyrrol-1-ylpropanamide
CID 61478012
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide (CID 165472875) is 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1cc(N)c(C)n1.
What is the InChIKey of 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide?
The InChIKey is BSDXEQLZRVXCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-11-9(14)7(3)13-5-8(10)6(2)12-13/h5,7H,4,10H2,1-3H3,(H,11,14).
What are the key properties of 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide?
2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpyrazol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 165472875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).