tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate

C14H25N3O2 — CID 103522406

IUPACtert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
SMILESCCc1nn(C)cc1CC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-12-11(9-17(5)16-12)7-10(8-15)13(18)19-14(2,3)4/h9-10H,6-8,15H2,1-5H3
InChIKeyWVIMTXJFRNREOP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.44
Rot. Bonds5

About tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate

tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate (PubChem CID 103522406) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
PubChem CID103522406
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nametert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
SMILESCCc1nn(C)cc1CC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-12-11(9-17(5)16-12)7-10(8-15)13(18)19-14(2,3)4/h9-10H,6-8,15H2,1-5H3
InChIKeyWVIMTXJFRNREOP-UHFFFAOYSA-N
XLogP1.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-1-ylpropan-1-one
CID 115990294
tert-butyl 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-oxobutanoate
CID 106707672
1-(3-ethyl-1-methylpyrazol-4-yl)butan-2-amine
CID 112669719
2-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4,4-dimethylpentanamide
CID 107473003
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutan-2-amine
CID 112669727
tert-butyl N-[(E)-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]but-2-enyl]carbamate
CID 107253311
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
2-[ethyl-[(3-ethyl-1-methylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 112671409
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
CID 82398939

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
The IUPAC name of tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate (CID 103522406) is tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate is CCc1nn(C)cc1CC(CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
The InChIKey is WVIMTXJFRNREOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-12-11(9-17(5)16-12)7-10(8-15)13(18)19-14(2,3)4/h9-10H,6-8,15H2,1-5H3.
What are the key properties of tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate?
tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate has a molecular weight of 267.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate is sourced from PubChem (CID 103522406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).