4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

C13H24N4O — CID 66124207

IUPAC4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C13H24N4O/c1-6-10(7-2)8(3)15-13(18)12-11(14)9(4)16-17(12)5/h8,10H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyQXSXKQJAGDSPKY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.87
Rot. Bonds5

About 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66124207) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66124207
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C13H24N4O/c1-6-10(7-2)8(3)15-13(18)12-11(14)9(4)16-17(12)5/h8,10H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyQXSXKQJAGDSPKY-UHFFFAOYSA-N
XLogP1.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
CID 66125647
4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66120266
4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 66123978
4-amino-1,3-dimethyl-N-(5-methylhexyl)pyrazole-5-carboxamide
CID 113287247
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122417
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
CID 66122221
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 114940346
4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66125184
4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 106259622
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125389

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (CID 66124207) is 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is CCC(CC)C(C)NC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is QXSXKQJAGDSPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-10(7-2)8(3)15-13(18)12-11(14)9(4)16-17(12)5/h8,10H,6-7,14H2,1-5H3,(H,15,18).
What are the key properties of 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).