(Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide

C17H19F2N3O2 — CID 19449930

IUPAC(Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide
SMILESCCn1ccc(CN(C)C(=O)/C=C\c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H19F2N3O2/c1-3-22-11-10-14(20-22)12-21(2)16(23)9-6-13-4-7-15(8-5-13)24-17(18)19/h4-11,17H,3,12H2,1-2H3/b9-6-
InChIKeyPXAVGEQNARZREY-TWGQIWQCSA-N
MW335.35 g/mol
LogP3.18
Rot. Bonds7

About (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide

(Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide (PubChem CID 19449930) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide
PubChem CID19449930
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide
SMILESCCn1ccc(CN(C)C(=O)/C=C\c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H19F2N3O2/c1-3-22-11-10-14(20-22)12-21(2)16(23)9-6-13-4-7-15(8-5-13)24-17(18)19/h4-11,17H,3,12H2,1-2H3/b9-6-
InChIKeyPXAVGEQNARZREY-TWGQIWQCSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylprop-2-enamide
CID 19451953
4-[[(Z)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412558
3-[4-(difluoromethoxy)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-propylprop-2-enamide
CID 78771470
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 8500714
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethylprop-2-enehydrazide
CID 39967572
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 134059120
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531133
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19394362
(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 7993031

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide (CID 19449930) is (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide is CCn1ccc(CN(C)C(=O)/C=C\c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide?
The InChIKey is PXAVGEQNARZREY-TWGQIWQCSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-3-22-11-10-14(20-22)12-21(2)16(23)9-6-13-4-7-15(8-5-13)24-17(18)19/h4-11,17H,3,12H2,1-2H3/b9-6-.
What are the key properties of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide?
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide has a molecular weight of 335.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 19449930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).