methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate

C13H21N3O3 — CID 62732888

IUPACmethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
SMILESCCn1nc(C)cc1C(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C13H21N3O3/c1-6-16-10(7-9(4)15-16)12(17)14-11(8(2)3)13(18)19-5/h7-8,11H,6H2,1-5H3,(H,14,17)
InChIKeyZOOOXAGVEGERNZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate

methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 62732888) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
PubChem CID62732888
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate
SMILESCCn1nc(C)cc1C(=O)NC(C(=O)OC)C(C)C
InChIInChI=1S/C13H21N3O3/c1-6-16-10(7-9(4)15-16)12(17)14-11(8(2)3)13(18)19-5/h7-8,11H,6H2,1-5H3,(H,14,17)
InChIKeyZOOOXAGVEGERNZ-UHFFFAOYSA-N
XLogP1.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
2-ethyl-N-(1-iodo-3-methylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 107860041
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
N-(1-amino-4-methylpentan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119698
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077130
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106356975
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 103941002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate (CID 62732888) is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate is CCn1nc(C)cc1C(=O)NC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is ZOOOXAGVEGERNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-16-10(7-9(4)15-16)12(17)14-11(8(2)3)13(18)19-5/h7-8,11H,6H2,1-5H3,(H,14,17).
What are the key properties of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 267.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 62732888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).