methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate

C12H19N3O3 — CID 19342061

IUPACmethyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate
SMILESCCC(CC)C(=O)Nc1cnn(C)c1C(=O)OC
InChIInChI=1S/C12H19N3O3/c1-5-8(6-2)11(16)14-9-7-13-15(3)10(9)12(17)18-4/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyAMGZXRJBYPOGNX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.58
Rot. Bonds5

About methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate

methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate (PubChem CID 19342061) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate
PubChem CID19342061
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate
SMILESCCC(CC)C(=O)Nc1cnn(C)c1C(=O)OC
InChIInChI=1S/C12H19N3O3/c1-5-8(6-2)11(16)14-9-7-13-15(3)10(9)12(17)18-4/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyAMGZXRJBYPOGNX-UHFFFAOYSA-N
XLogP1.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylbutanoylamino)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341757
methyl 4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342092
methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
methyl 1-methyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342217
methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342183
methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate
CID 19342293
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
methyl 4-[[2-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342289
methyl 3-amino-4-(2-ethylbutanoylamino)benzoate
CID 110481379
methyl 1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrazole-5-carboxylate
CID 19449798

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate (CID 19342061) is methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate is CCC(CC)C(=O)Nc1cnn(C)c1C(=O)OC.
What is the InChIKey of methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate?
The InChIKey is AMGZXRJBYPOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-8(6-2)11(16)14-9-7-13-15(3)10(9)12(17)18-4/h7-8H,5-6H2,1-4H3,(H,14,16).
What are the key properties of methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate?
methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethylbutanoylamino)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19342061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).