(Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide

C18H14FN3O2S — CID 16812339

IUPAC(Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C18H14FN3O2S/c19-12-3-5-13(6-4-12)22-18(15-10-25-11-16(15)21-22)20-17(23)8-7-14-2-1-9-24-14/h1-9H,10-11H2,(H,20,23)/b8-7-
InChIKeyITTCRBACUKYENU-FPLPWBNLSA-N
MW355.39 g/mol
LogP4.00
Rot. Bonds4

About (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide

(Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 16812339) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID16812339
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name(Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2
InChIInChI=1S/C18H14FN3O2S/c19-12-3-5-13(6-4-12)22-18(15-10-25-11-16(15)21-22)20-17(23)8-7-14-2-1-9-24-14/h1-9H,10-11H2,(H,20,23)/b8-7-
InChIKeyITTCRBACUKYENU-FPLPWBNLSA-N
XLogP4.00
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_55_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 16812338
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-dimethylbutanamide
CID 7484177
2,6-difluoro-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3335857
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 4623702
4-bromo-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4183394
3,5-dichloro-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030713
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 5235402
(E)-3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
CID 121030382
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3450139
ethyl 4-[[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-4-oxobutanoate
CID 7484180
(Z)-3-(1,3-benzodioxol-5-yl)-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
CID 18553425
N'-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7423979

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide (CID 16812339) is (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2.
What is the InChIKey of (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ITTCRBACUKYENU-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-12-3-5-13(6-4-12)22-18(15-10-25-11-16(15)21-22)20-17(23)8-7-14-2-1-9-24-14/h1-9H,10-11H2,(H,20,23)/b8-7-.
What are the key properties of (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide?
(Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 355.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 16812339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).