methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate

C10H17N3O2 — CID 79778645

IUPACmethyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
SMILESCOC(=O)C(C)C(C)Nc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-7(10(14)15-4)8(2)12-9-5-11-13(3)6-9/h5-8,12H,1-4H3
InChIKeyLGUBXIUJXHIGKZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate

methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate (PubChem CID 79778645) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
PubChem CID79778645
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
SMILESCOC(=O)C(C)C(C)Nc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-7(10(14)15-4)8(2)12-9-5-11-13(3)6-9/h5-8,12H,1-4H3
InChIKeyLGUBXIUJXHIGKZ-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
CID 103256739
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
methyl 2-methyl-3-(1-methylpyrazol-4-yl)-3-oxopropanoate
CID 65198194
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79779147
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)amino]butanoic acid
CID 127020438
methyl 2-(2-methylpropylamino)-2-(1-methylpyrazol-4-yl)acetate
CID 61002889
2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate
CID 155404223
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate?
The IUPAC name of methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate (CID 79778645) is methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate is COC(=O)C(C)C(C)Nc1cnn(C)c1.
What is the InChIKey of methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate?
The InChIKey is LGUBXIUJXHIGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(10(14)15-4)8(2)12-9-5-11-13(3)6-9/h5-8,12H,1-4H3.
What are the key properties of methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate?
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate has a molecular weight of 211.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate is sourced from PubChem (CID 79778645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).