1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide

C19H14F2N4O2 — CID 166405448

IUPAC1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)ccc1F
InChIInChI=1S/C19H14F2N4O2/c1-2-18(26)23-17-11-13(6-7-15(17)21)22-19(27)16-8-9-25(24-16)14-5-3-4-12(20)10-14/h2-11H,1H2,(H,22,27)(H,23,26)
InChIKeyHWXJFDQCDXIWHH-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.53
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 166405448) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID166405448
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)ccc1F
InChIInChI=1S/C19H14F2N4O2/c1-2-18(26)23-17-11-13(6-7-15(17)21)22-19(27)16-8-9-25(24-16)14-5-3-4-12(20)10-14/h2-11H,1H2,(H,22,27)(H,23,26)
InChIKeyHWXJFDQCDXIWHH-UHFFFAOYSA-N
XLogP3.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882197
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 49168620
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47849771
1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 47852920
prop-2-enyl 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 86846505
N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 154857565
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-methylindole-4-carboxamide
CID 166405453
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-(3-fluoro-4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38417021
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374
1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47859630

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide (CID 166405448) is 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide is C=CC(=O)Nc1cc(NC(=O)c2ccn(-c3cccc(F)c3)n2)ccc1F.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is HWXJFDQCDXIWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c1-2-18(26)23-17-11-13(6-7-15(17)21)22-19(27)16-8-9-25(24-16)14-5-3-4-12(20)10-14/h2-11H,1H2,(H,22,27)(H,23,26).
What are the key properties of 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166405448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).