ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate

C11H19N3O2 — CID 64541804

IUPACethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
SMILESCCOC(=O)CC(c1cnn(C)c1)N(C)C
InChIInChI=1S/C11H19N3O2/c1-5-16-11(15)6-10(13(2)3)9-7-12-14(4)8-9/h7-8,10H,5-6H2,1-4H3
InChIKeyUYSBNLRNRJAQCS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds5

About ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate

ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate (PubChem CID 64541804) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
PubChem CID64541804
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
SMILESCCOC(=O)CC(c1cnn(C)c1)N(C)C
InChIInChI=1S/C11H19N3O2/c1-5-16-11(15)6-10(13(2)3)9-7-12-14(4)8-9/h7-8,10H,5-6H2,1-4H3
InChIKeyUYSBNLRNRJAQCS-UHFFFAOYSA-N
XLogP0.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3,4-dihydroxy-4-(1-methylpyrazol-4-yl)butanoate
CID 171896783
ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83093864
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
ethyl (3S)-3-(1-methylpyrazol-4-yl)-3-(oxan-4-yl)propanoate
CID 129409435
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
CID 115290153
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538964
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate (CID 64541804) is ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate is CCOC(=O)CC(c1cnn(C)c1)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate?
The InChIKey is UYSBNLRNRJAQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-16-11(15)6-10(13(2)3)9-7-12-14(4)8-9/h7-8,10H,5-6H2,1-4H3.
What are the key properties of ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate?
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate has a molecular weight of 225.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate is sourced from PubChem (CID 64541804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).