methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate

C19H25N3O3 — CID 178156159

IUPACmethyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate
SMILESCCOC1CC(N(C)C(C(=O)OC)c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C19H25N3O3/c1-4-25-16-12-15(13-16)21(2)18(19(23)24-3)17-10-11-20-22(17)14-8-6-5-7-9-14/h5-11,15-16,18H,4,12-13H2,1-3H3
InChIKeyCFPRCIZICHAXQA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.59
Rot. Bonds7

About methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate

methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate (PubChem CID 178156159) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate
PubChem CID178156159
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate
SMILESCCOC1CC(N(C)C(C(=O)OC)c2ccnn2-c2ccccc2)C1
InChIInChI=1S/C19H25N3O3/c1-4-25-16-12-15(13-16)21(2)18(19(23)24-3)17-10-11-20-22(17)14-8-6-5-7-9-14/h5-11,15-16,18H,4,12-13H2,1-3H3
InChIKeyCFPRCIZICHAXQA-UHFFFAOYSA-N
XLogP2.59
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate (CID 178156159) is methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate is CCOC1CC(N(C)C(C(=O)OC)c2ccnn2-c2ccccc2)C1.
What is the InChIKey of methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate?
The InChIKey is CFPRCIZICHAXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-25-16-12-15(13-16)21(2)18(19(23)24-3)17-10-11-20-22(17)14-8-6-5-7-9-14/h5-11,15-16,18H,4,12-13H2,1-3H3.
What are the key properties of methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate?
methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate has a molecular weight of 343.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxycyclobutyl)-methylamino]-2-(2-phenylpyrazol-3-yl)acetate is sourced from PubChem (CID 178156159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).