methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate

C13H23N3O2 — CID 43787222

IUPACmethyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)16-9-10(8-15-16)7-14-13(4,5)11(17)18-6/h8-9,14H,7H2,1-6H3
InChIKeyOXGMUWGAXAKRFA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate

methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate (PubChem CID 43787222) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate
PubChem CID43787222
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Namemethyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)16-9-10(8-15-16)7-14-13(4,5)11(17)18-6/h8-9,14H,7H2,1-6H3
InChIKeyOXGMUWGAXAKRFA-UHFFFAOYSA-N
XLogP1.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-tert-butylpyrazol-4-yl)acetate
CID 89006356
4-[(1-tert-butylpyrazol-4-yl)methylamino]benzoic acid
CID 43774375
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
methyl 3-[(1-tert-butylpyrazol-4-yl)methylamino]benzoate
CID 43774429
2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977174
methyl 2-[(4-carbamoylphenyl)methylamino]-2-methylpropanoate
CID 43787220
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
CID 54888825
2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
CID 43778264
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60957794
4-[(1-tert-butylpyrazol-4-yl)methylamino]-1-methoxybutan-2-ol
CID 103876413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate (CID 43787222) is methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate is COC(=O)C(C)(C)NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate?
The InChIKey is OXGMUWGAXAKRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-12(2,3)16-9-10(8-15-16)7-14-13(4,5)11(17)18-6/h8-9,14H,7H2,1-6H3.
What are the key properties of methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate?
methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate has a molecular weight of 253.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 43787222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).