(Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide

C18H13BrFN3O — CID 118731085

IUPAC(Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc(F)cc1)Nc1cc(-c2ccc(Br)cc2)[nH]n1
InChIInChI=1S/C18H13BrFN3O/c19-14-6-4-13(5-7-14)16-11-17(23-22-16)21-18(24)10-3-12-1-8-15(20)9-2-12/h1-11H,(H2,21,22,23,24)/b10-3-
InChIKeySCWDCMDLSBBTPN-KMKOMSMNSA-N
MW386.22 g/mol
LogP4.63
Rot. Bonds4

About (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide

(Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 118731085) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID118731085
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC Name(Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc(F)cc1)Nc1cc(-c2ccc(Br)cc2)[nH]n1
InChIInChI=1S/C18H13BrFN3O/c19-14-6-4-13(5-7-14)16-11-17(23-22-16)21-18(24)10-3-12-1-8-15(20)9-2-12/h1-11H,(H2,21,22,23,24)/b10-3-
InChIKeySCWDCMDLSBBTPN-KMKOMSMNSA-N
XLogP4.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide (CID 118731085) is (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C\c1ccc(F)cc1)Nc1cc(-c2ccc(Br)cc2)[nH]n1.
What is the InChIKey of (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is SCWDCMDLSBBTPN-KMKOMSMNSA-N. The full InChI is InChI=1S/C18H13BrFN3O/c19-14-6-4-13(5-7-14)16-11-17(23-22-16)21-18(24)10-3-12-1-8-15(20)9-2-12/h1-11H,(H2,21,22,23,24)/b10-3-.
What are the key properties of (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide?
(Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 386.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 118731085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).