(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide

C16H17F2N3O2 — CID 19394362

IUPAC(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C16H17F2N3O2/c1-3-21-11(2)14(10-19-21)20-15(22)9-6-12-4-7-13(8-5-12)23-16(17)18/h4-10,16H,3H2,1-2H3,(H,20,22)/b9-6-
InChIKeyCYCLWMVOTLAPMV-TWGQIWQCSA-N
MW321.33 g/mol
LogP3.46
Rot. Bonds6

About (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide

(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 19394362) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
PubChem CID19394362
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c1C
InChIInChI=1S/C16H17F2N3O2/c1-3-21-11(2)14(10-19-21)20-15(22)9-6-12-4-7-13(8-5-12)23-16(17)18/h4-10,16H,3H2,1-2H3,(H,20,22)/b9-6-
InChIKeyCYCLWMVOTLAPMV-TWGQIWQCSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
4-[[(Z)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412558
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19338014
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 3916124
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7920115
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 19581807
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884920
(E)-N-(4-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 2477751

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (CID 19394362) is (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is CCn1ncc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c1C.
What is the InChIKey of (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is CYCLWMVOTLAPMV-TWGQIWQCSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-3-21-11(2)14(10-19-21)20-15(22)9-6-12-4-7-13(8-5-12)23-16(17)18/h4-10,16H,3H2,1-2H3,(H,20,22)/b9-6-.
What are the key properties of (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 321.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 19394362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).