methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate

C17H18N2O4 — CID 162486605

IUPACmethyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate
SMILESCO/C=C(\Oc1cccc(-n2ccc(C3CC3)n2)c1)C(=O)OC
InChIInChI=1S/C17H18N2O4/c1-21-11-16(17(20)22-2)23-14-5-3-4-13(10-14)19-9-8-15(18-19)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3/b16-11-
InChIKeyGCRQWABFNYIPIK-WJDWOHSUSA-N
MW314.34 g/mol
LogP2.79
Rot. Bonds6

About methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate

methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate (PubChem CID 162486605) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate
PubChem CID162486605
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate
SMILESCO/C=C(\Oc1cccc(-n2ccc(C3CC3)n2)c1)C(=O)OC
InChIInChI=1S/C17H18N2O4/c1-21-11-16(17(20)22-2)23-14-5-3-4-13(10-14)19-9-8-15(18-19)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3/b16-11-
InChIKeyGCRQWABFNYIPIK-WJDWOHSUSA-N
XLogP2.79
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate?
The IUPAC name of methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate (CID 162486605) is methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate is CO/C=C(\Oc1cccc(-n2ccc(C3CC3)n2)c1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate?
The InChIKey is GCRQWABFNYIPIK-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-11-16(17(20)22-2)23-14-5-3-4-13(10-14)19-9-8-15(18-19)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3/b16-11-.
What are the key properties of methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate?
methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate has a molecular weight of 314.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[3-(3-cyclopropylpyrazol-1-yl)phenoxy]-3-methoxyprop-2-enoate is sourced from PubChem (CID 162486605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).