methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate

C10H17N3O3 — CID 165489990

IUPACmethyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate
SMILESCCNC(Cn1cc(OC)cn1)C(=O)OC
InChIInChI=1S/C10H17N3O3/c1-4-11-9(10(14)16-3)7-13-6-8(15-2)5-12-13/h5-6,9,11H,4,7H2,1-3H3
InChIKeySFCTUBJKBFHGFO-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.04
Rot. Bonds6

About methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate

methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate (PubChem CID 165489990) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate
PubChem CID165489990
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate
SMILESCCNC(Cn1cc(OC)cn1)C(=O)OC
InChIInChI=1S/C10H17N3O3/c1-4-11-9(10(14)16-3)7-13-6-8(15-2)5-12-13/h5-6,9,11H,4,7H2,1-3H3
InChIKeySFCTUBJKBFHGFO-UHFFFAOYSA-N
XLogP0.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate (CID 165489990) is methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate is CCNC(Cn1cc(OC)cn1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate?
The InChIKey is SFCTUBJKBFHGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-11-9(10(14)16-3)7-13-6-8(15-2)5-12-13/h5-6,9,11H,4,7H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate?
methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate has a molecular weight of 227.26 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-(4-methoxypyrazol-1-yl)propanoate is sourced from PubChem (CID 165489990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).