methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate

C12H19N3O3 — CID 110280744

IUPACmethyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate
SMILESCCC(C)C(=O)Nc1c(C(=O)OC)nn(C)c1C
InChIInChI=1S/C12H19N3O3/c1-6-7(2)11(16)13-9-8(3)15(4)14-10(9)12(17)18-5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyDZLLMHFGWDOVNA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.50
Rot. Bonds4

About methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate

methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate (PubChem CID 110280744) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate
PubChem CID110280744
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate
SMILESCCC(C)C(=O)Nc1c(C(=O)OC)nn(C)c1C
InChIInChI=1S/C12H19N3O3/c1-6-7(2)11(16)13-9-8(3)15(4)14-10(9)12(17)18-5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyDZLLMHFGWDOVNA-UHFFFAOYSA-N
XLogP1.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-ethylhexanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 110280741
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
methyl 4-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748175
methyl 1,5-dimethyl-4-[(5-methylthiadiazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 95748327
methyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748126
methyl 1,5-dimethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748149
methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
methyl 1,5-dimethyl-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748248
methyl 4-[[2-(4-fluorophenoxy)acetyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748123
methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748376

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate (CID 110280744) is methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate is CCC(C)C(=O)Nc1c(C(=O)OC)nn(C)c1C.
What is the InChIKey of methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate?
The InChIKey is DZLLMHFGWDOVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-7(2)11(16)13-9-8(3)15(4)14-10(9)12(17)18-5/h7H,6H2,1-5H3,(H,13,16).
What are the key properties of methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate?
methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate is sourced from PubChem (CID 110280744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).