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

C17H19F2N3O2 — CID 19581807

IUPAC(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
SMILESCc1cnn(CCCNC(=O)/C=C\c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H19F2N3O2/c1-13-11-21-22(12-13)10-2-9-20-16(23)8-5-14-3-6-15(7-4-14)24-17(18)19/h3-8,11-12,17H,2,9-10H2,1H3,(H,20,23)/b8-5-
InChIKeyXSWGNWSSSOONGT-YVMONPNESA-N
MW335.35 g/mol
LogP3.01
Rot. Bonds8

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

(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide (PubChem CID 19581807) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
PubChem CID19581807
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
SMILESCc1cnn(CCCNC(=O)/C=C\c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H19F2N3O2/c1-13-11-21-22(12-13)10-2-9-20-16(23)8-5-14-3-6-15(7-4-14)24-17(18)19/h3-8,11-12,17H,2,9-10H2,1H3,(H,20,23)/b8-5-
InChIKeyXSWGNWSSSOONGT-YVMONPNESA-N
XLogP3.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 134013484
(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19327964
(E)-3-(2-chlorophenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide
CID 19327940
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
(E)-N-[3-(4-bromopyrazol-1-yl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 19295855
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 26710370
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19394362
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]prop-2-enamide
CID 19283189
(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 7993031
(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 19397736
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide
CID 19397952

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide?
The IUPAC name of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide (CID 19581807) is (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide is Cc1cnn(CCCNC(=O)/C=C\c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide?
The InChIKey is XSWGNWSSSOONGT-YVMONPNESA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-13-11-21-22(12-13)10-2-9-20-16(23)8-5-14-3-6-15(7-4-14)24-17(18)19/h3-8,11-12,17H,2,9-10H2,1H3,(H,20,23)/b8-5-.
What are the key properties of (Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide?
(Z)-3-[4-(difluoromethoxy)phenyl]-N-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide has a molecular weight of 335.35 g/mol, XLogP of 3.01, 8 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-[3-(4-methylpyrazol-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 19581807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).