(E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide

C20H23F2N3O3 — CID 55337457

IUPAC(E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccnn2C2CCCC2)ccc1OC(F)F
InChIInChI=1S/C20H23F2N3O3/c1-2-27-17-13-14(7-9-16(17)28-20(21)22)8-10-19(26)24-18-11-12-23-25(18)15-5-3-4-6-15/h7-13,15,20H,2-6H2,1H3,(H,24,26)/b10-8+
InChIKeyIRJIGSUQLABCOQ-CSKARUKUSA-N
MW391.42 g/mol
LogP4.65
Rot. Bonds8

About (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide

(E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide (PubChem CID 55337457) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
PubChem CID55337457
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name(E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccnn2C2CCCC2)ccc1OC(F)F
InChIInChI=1S/C20H23F2N3O3/c1-2-27-17-13-14(7-9-16(17)28-20(21)22)8-10-19(26)24-18-11-12-23-25(18)15-5-3-4-6-15/h7-13,15,20H,2-6H2,1H3,(H,24,26)/b10-8+
InChIKeyIRJIGSUQLABCOQ-CSKARUKUSA-N
XLogP4.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.65
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-ethoxyphenyl]-N-pyridin-4-ylprop-2-enamide
CID 39953641
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 8744762
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-cyclohexylpyrazol-3-yl)prop-2-enamide
CID 75365018
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566499
N-[2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 51153100
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 31403059
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[4-(pyridin-4-ylmethyl)phenyl]prop-2-enamide
CID 46693005
1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701062
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157
(E)-N-(2-benzylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 8622969
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 16575272
ethyl 2-[[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 29438376

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide (CID 55337457) is (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide is CCOc1cc(/C=C/C(=O)Nc2ccnn2C2CCCC2)ccc1OC(F)F.
What is the InChIKey of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
The InChIKey is IRJIGSUQLABCOQ-CSKARUKUSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-2-27-17-13-14(7-9-16(17)28-20(21)22)8-10-19(26)24-18-11-12-23-25(18)15-5-3-4-6-15/h7-13,15,20H,2-6H2,1H3,(H,24,26)/b10-8+.
What are the key properties of (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
(E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide has a molecular weight of 391.42 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopentylpyrazol-3-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide is sourced from PubChem (CID 55337457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).