(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide

C15H15ClFN3O — CID 19460508

IUPAC(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-19(10-14-13(16)9-18-20(14)2)15(21)8-5-11-3-6-12(17)7-4-11/h3-9H,10H2,1-2H3/b8-5+
InChIKeyCYNPOOMZZXVXOY-VMPITWQZSA-N
MW307.76 g/mol
LogP2.88
Rot. Bonds4

About (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide

(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide (PubChem CID 19460508) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide
PubChem CID19460508
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O/c1-19(10-14-13(16)9-18-20(14)2)15(21)8-5-11-3-6-12(17)7-4-11/h3-9H,10H2,1-2H3/b8-5+
InChIKeyCYNPOOMZZXVXOY-VMPITWQZSA-N
XLogP2.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide (CID 19460508) is (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide is CN(Cc1c(Cl)cnn1C)C(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide?
The InChIKey is CYNPOOMZZXVXOY-VMPITWQZSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-19(10-14-13(16)9-18-20(14)2)15(21)8-5-11-3-6-12(17)7-4-11/h3-9H,10H2,1-2H3/b8-5+.
What are the key properties of (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide?
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide has a molecular weight of 307.76 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 19460508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).