methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate

C12H21N3O2 — CID 43231090

IUPACmethyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cnn(C)c1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-11(12(16)17-4)13-6-10-7-14-15(3)8-10/h7-9,11,13H,5-6H2,1-4H3
InChIKeyMDPUQDQGJIVWTE-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.10
Rot. Bonds6

About methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate

methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate (PubChem CID 43231090) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate
PubChem CID43231090
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cnn(C)c1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-11(12(16)17-4)13-6-10-7-14-15(3)8-10/h7-9,11,13H,5-6H2,1-4H3
InChIKeyMDPUQDQGJIVWTE-UHFFFAOYSA-N
XLogP1.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
methyl 2-{[(1-methyl-1H-pyrazol-4-yl)methyl]amino}acetate hydrochloride
CID 54592896
3-[1-(4-Methylpyrazol-1-yl)propan-2-ylamino]oxolan-2-one
CID 53568830
5-Methyl-3-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]oxolan-2-one
CID 53575272
tert-butyl (2S)-3-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoate
CID 71918079
Methyl 1-[(1-ethylpyrazol-4-yl)methylamino]cyclopropane-1-carboxylate
CID 91662245
Methyl 2-{[(1-methyl-1H-pyrazol-4-yl)methyl]amino}acetate
CID 28600250
Ethyl 2-amino-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexanoate
CID 64176944
Methyl 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoate
CID 64176949
2-Methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64176950
Methyl 2-(ethylamino)-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoate
CID 64176952
Ethyl 2-(ethylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 64177114

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate (CID 43231090) is methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate is COC(=O)C(CC(C)C)NCc1cnn(C)c1.
What is the InChIKey of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate?
The InChIKey is MDPUQDQGJIVWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)5-11(12(16)17-4)13-6-10-7-14-15(3)8-10/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate?
methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate has a molecular weight of 239.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentanoate is sourced from PubChem (CID 43231090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).