methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate

C17H15N5O2 — CID 56647885

IUPACmethyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/Nc1c(-c2ccccn2)n[nH]c1-c1ccccn1
InChIInChI=1S/C17H15N5O2/c1-24-14(23)8-11-20-17-15(12-6-2-4-9-18-12)21-22-16(17)13-7-3-5-10-19-13/h2-11,20H,1H3,(H,21,22)/b11-8+
InChIKeyMGDRKOMPBDQHGB-DHZHZOJOSA-N
MW321.34 g/mol
LogP2.63
Rot. Bonds5

About methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate

methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate (PubChem CID 56647885) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate
PubChem CID56647885
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Namemethyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate
SMILESCOC(=O)/C=C/Nc1c(-c2ccccn2)n[nH]c1-c1ccccn1
InChIInChI=1S/C17H15N5O2/c1-24-14(23)8-11-20-17-15(12-6-2-4-9-18-12)21-22-16(17)13-7-3-5-10-19-13/h2-11,20H,1H3,(H,21,22)/b11-8+
InChIKeyMGDRKOMPBDQHGB-DHZHZOJOSA-N
XLogP2.63
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate (CID 56647885) is methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate is COC(=O)/C=C/Nc1c(-c2ccccn2)n[nH]c1-c1ccccn1.
What is the InChIKey of methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate?
The InChIKey is MGDRKOMPBDQHGB-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-14(23)8-11-20-17-15(12-6-2-4-9-18-12)21-22-16(17)13-7-3-5-10-19-13/h2-11,20H,1H3,(H,21,22)/b11-8+.
What are the key properties of methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate?
methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate has a molecular weight of 321.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(3,5-dipyridin-2-yl-1H-pyrazol-4-yl)amino]prop-2-enoate is sourced from PubChem (CID 56647885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).