[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C14H24N4O3 — CID 66124501

IUPAC[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCC(C)NC(=O)C(C)OC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C14H24N4O3/c1-6-8(3)16-13(19)10(5)21-14(20)12-11(15)9(4)17-18(12)7-2/h8,10H,6-7,15H2,1-5H3,(H,16,19)
InChIKeyIQRVKTDOGNIJEM-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.25
Rot. Bonds6

About [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66124501) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66124501
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCC(C)NC(=O)C(C)OC(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C14H24N4O3/c1-6-8(3)16-13(19)10(5)21-14(20)12-11(15)9(4)17-18(12)7-2/h8,10H,6-7,15H2,1-5H3,(H,16,19)
InChIKeyIQRVKTDOGNIJEM-UHFFFAOYSA-N
XLogP1.25
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate with MolForge

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Related Compounds

4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125657
(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125280
4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
CID 66125647
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125389
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 82944743
4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123131
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81317384
N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75767585
4-amino-1-ethyl-3-methyl-N-(2-piperidin-1-ylpropyl)pyrazole-5-carboxamide
CID 66125626
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide
CID 66012063
4-amino-1-ethyl-3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide
CID 66123889

Frequently Asked Questions

What is the IUPAC name of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66124501) is [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCC(C)NC(=O)C(C)OC(=O)c1c(N)c(C)nn1CC.
What is the InChIKey of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is IQRVKTDOGNIJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-6-8(3)16-13(19)10(5)21-14(20)12-11(15)9(4)17-18(12)7-2/h8,10H,6-7,15H2,1-5H3,(H,16,19).
What are the key properties of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66124501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).