methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate

C12H21N3O2 — CID 43689096

IUPACmethyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cn[nH]c1C
InChIInChI=1S/C12H21N3O2/c1-8(2)5-11(12(16)17-4)13-6-10-7-14-15-9(10)3/h7-8,11,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyQQQNLPLQYFMJMO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.40
Rot. Bonds6

About methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate

methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate (PubChem CID 43689096) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate
PubChem CID43689096
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Namemethyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cn[nH]c1C
InChIInChI=1S/C12H21N3O2/c1-8(2)5-11(12(16)17-4)13-6-10-7-14-15-9(10)3/h7-8,11,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyQQQNLPLQYFMJMO-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate with MolForge

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Related Compounds

methyl (2S)-3,3-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 67100534
ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate
CID 83444947
methyl (2S)-3-methyl-2-(1H-pyrazol-5-ylmethylamino)butanoate
CID 43662565
methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
CID 43663439
(1-methoxypropan-2-yl)[(3-methyl-1H-pyrazol-4-yl)methyl]amine
CID 43663465
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43663732
methyl (2S)-3-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 43663745
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentanoate
CID 43689095
methyl 4-methyl-2-(1H-pyrazol-5-ylmethylamino)pentanoate
CID 43689101
methyl (2S)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43723769
methyl 2-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 43726146

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate (CID 43689096) is methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate is COC(=O)C(CC(C)C)NCc1cn[nH]c1C.
What is the InChIKey of methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate?
The InChIKey is QQQNLPLQYFMJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)5-11(12(16)17-4)13-6-10-7-14-15-9(10)3/h7-8,11,13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate?
methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate has a molecular weight of 239.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentanoate is sourced from PubChem (CID 43689096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).