methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate

C14H25N3O2 — CID 82694955

IUPACmethyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCc1cc(CC)n(CCC(C)(NC)C(=O)OC)n1
InChIInChI=1S/C14H25N3O2/c1-6-11-10-12(7-2)17(16-11)9-8-14(3,15-4)13(18)19-5/h10,15H,6-9H2,1-5H3
InChIKeySHKKSBHZCUFFKJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.55
Rot. Bonds7

About methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate

methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate (PubChem CID 82694955) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
PubChem CID82694955
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Namemethyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
SMILESCCc1cc(CC)n(CCC(C)(NC)C(=O)OC)n1
InChIInChI=1S/C14H25N3O2/c1-6-11-10-12(7-2)17(16-11)9-8-14(3,15-4)13(18)19-5/h10,15H,6-9H2,1-5H3
InChIKeySHKKSBHZCUFFKJ-UHFFFAOYSA-N
XLogP1.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 82695143
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
CID 82699135
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
CID 82698927
3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
CID 82700121
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
3,5-diethyl-1-propylpyrazole
CID 82699697
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
CID 82694733
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butanoate
CID 82695361
ethyl 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62129434
5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile
CID 82692715

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate?
The IUPAC name of methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate (CID 82694955) is methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate is CCc1cc(CC)n(CCC(C)(NC)C(=O)OC)n1.
What is the InChIKey of methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate?
The InChIKey is SHKKSBHZCUFFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-11-10-12(7-2)17(16-11)9-8-14(3,15-4)13(18)19-5/h10,15H,6-9H2,1-5H3.
What are the key properties of methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate?
methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate has a molecular weight of 267.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 82694955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).