(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide

C14H13Cl2N3O — CID 104619610

IUPAC(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCc1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C14H13Cl2N3O/c1-2-12-8-13(19-18-12)17-14(20)4-3-9-5-10(15)7-11(16)6-9/h3-8H,2H2,1H3,(H2,17,18,19,20)/b4-3+
InChIKeyFIHKZWHJKWPCCB-ONEGZZNKSA-N
MW310.18 g/mol
LogP3.93
Rot. Bonds4

About (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide

(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 104619610) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID104619610
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCCc1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C14H13Cl2N3O/c1-2-12-8-13(19-18-12)17-14(20)4-3-9-5-10(15)7-11(16)6-9/h3-8H,2H2,1H3,(H2,17,18,19,20)/b4-3+
InChIKeyFIHKZWHJKWPCCB-ONEGZZNKSA-N
XLogP3.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-4-fluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619569
(E)-3-(4-ethylphenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619640
(E)-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 104619659
(E)-3-(3-bromophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619611
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
(E)-3-(3-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115621065
(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55260405
2-(2,4-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 47423250
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
(E)-3-(3,5-dichlorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 103741486
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115640654

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide (CID 104619610) is (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide is CCc1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)n[nH]1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is FIHKZWHJKWPCCB-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-2-12-8-13(19-18-12)17-14(20)4-3-9-5-10(15)7-11(16)6-9/h3-8H,2H2,1H3,(H2,17,18,19,20)/b4-3+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide?
(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 310.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 104619610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).