(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

C20H16ClF2N3O2 — CID 19397736

IUPAC(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H16ClF2N3O2/c21-18-4-2-1-3-15(18)12-26-13-16(11-24-26)25-19(27)10-7-14-5-8-17(9-6-14)28-20(22)23/h1-11,13,20H,12H2,(H,25,27)/b10-7-
InChIKeyAUCUQBUBCVFNKY-YFHOEESVSA-N
MW403.82 g/mol
LogP4.84
Rot. Bonds7

About (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 19397736) has the molecular formula C20H16ClF2N3O2 and a molecular weight of 403.82 g/mol. Its IUPAC name is (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID19397736
Molecular FormulaC20H16ClF2N3O2
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Name(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H16ClF2N3O2/c21-18-4-2-1-3-15(18)12-26-13-16(11-24-26)25-19(27)10-7-14-5-8-17(9-6-14)28-20(22)23/h1-11,13,20H,12H2,(H,25,27)/b10-7-
InChIKeyAUCUQBUBCVFNKY-YFHOEESVSA-N
XLogP4.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 54.84
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

(Z)-3-[4-(difluoromethoxy)phenyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]prop-2-enamide
CID 19397952
(E)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 19397607
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19397712
2-(4-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19397606
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
(Z)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 19409192
(E)-3-(2-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19409875
(E)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 6085616
(Z)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 19285719
(Z)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 19402763
(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19340489
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CID 19397736) is (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is AUCUQBUBCVFNKY-YFHOEESVSA-N. The full InChI is InChI=1S/C20H16ClF2N3O2/c21-18-4-2-1-3-15(18)12-26-13-16(11-24-26)25-19(27)10-7-14-5-8-17(9-6-14)28-20(22)23/h1-11,13,20H,12H2,(H,25,27)/b10-7-.
What are the key properties of (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
(Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 403.82 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 19397736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).