(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

C18H14F2N4O2 — CID 30884920

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C18H14F2N4O2/c19-18(20)26-14-7-4-13(5-8-14)6-9-16(25)23-15-3-1-10-21-17(15)24-12-2-11-22-24/h1-12,18H,(H,23,25)/b9-6+
InChIKeyMIIPSNUWTSQUHX-RMKNXTFCSA-N
MW356.33 g/mol
LogP3.52
Rot. Bonds6

About (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide

(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 30884920) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID30884920
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccnc1-n1cccn1
InChIInChI=1S/C18H14F2N4O2/c19-18(20)26-14-7-4-13(5-8-14)6-9-16(25)23-15-3-1-10-21-17(15)24-12-2-11-22-24/h1-12,18H,(H,23,25)/b9-6+
InChIKeyMIIPSNUWTSQUHX-RMKNXTFCSA-N
XLogP3.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884903
(E)-3-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30885025
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 55611611
(E)-N-(2-pyrazol-1-yl-3-pyridinyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553158
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884925
(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7920115
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
2-phenoxy-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 43063138
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19394362
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 33327740
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide (CID 30884920) is (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1cccnc1-n1cccn1.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is MIIPSNUWTSQUHX-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-18(20)26-14-7-4-13(5-8-14)6-9-16(25)23-15-3-1-10-21-17(15)24-12-2-11-22-24/h1-12,18H,(H,23,25)/b9-6+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide?
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 356.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 30884920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).