ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate

C15H27N3O2 — CID 64708562

IUPACethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)n1ccc(C)n1)NC(C)C
InChIInChI=1S/C15H27N3O2/c1-7-20-14(19)15(6,16-11(2)3)10-13(5)18-9-8-12(4)17-18/h8-9,11,13,16H,7,10H2,1-6H3
InChIKeyKJOTWFUELCTILU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate

ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate (PubChem CID 64708562) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate
PubChem CID64708562
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nameethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)n1ccc(C)n1)NC(C)C
InChIInChI=1S/C15H27N3O2/c1-7-20-14(19)15(6,16-11(2)3)10-13(5)18-9-8-12(4)17-18/h8-9,11,13,16H,7,10H2,1-6H3
InChIKeyKJOTWFUELCTILU-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 64809904
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
ethyl 3-(4,5-diiodoimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 114272499
ethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64712181
ethyl 2-(ethylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanoate
CID 64705259
methyl 2-methyl-2-(propan-2-ylamino)-4-(1,2,4-triazol-1-yl)pentanoate
CID 64705076
diethyl 2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanedioate
CID 103972554
ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
CID 64707611
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64705270
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729
ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate (CID 64708562) is ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(C)(CC(C)n1ccc(C)n1)NC(C)C.
What is the InChIKey of ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate?
The InChIKey is KJOTWFUELCTILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-7-20-14(19)15(6,16-11(2)3)10-13(5)18-9-8-12(4)17-18/h8-9,11,13,16H,7,10H2,1-6H3.
What are the key properties of ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate?
ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate has a molecular weight of 281.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(3-methylpyrazol-1-yl)-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 64708562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).