1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide

C20H17FN4O2 — CID 47849771

IUPAC1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C20H17FN4O2/c1-2-11-22-19(26)16-8-3-4-9-17(16)23-20(27)18-10-12-25(24-18)15-7-5-6-14(21)13-15/h2-10,12-13H,1,11H2,(H,22,26)(H,23,27)
InChIKeyDRTIJHXQCLULPO-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.18
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 47849771) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID47849771
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C20H17FN4O2/c1-2-11-22-19(26)16-8-3-4-9-17(16)23-20(27)18-10-12-25(24-18)15-7-5-6-14(21)13-15/h2-10,12-13H,1,11H2,(H,22,26)(H,23,27)
InChIKeyDRTIJHXQCLULPO-UHFFFAOYSA-N
XLogP3.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882197
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 47852920
N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 154857565
1-(3-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-3-carboxamide
CID 166405448
prop-2-enyl 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 86846505
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 18158401
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 47849771) is 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is DRTIJHXQCLULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-2-11-22-19(26)16-8-3-4-9-17(16)23-20(27)18-10-12-25(24-18)15-7-5-6-14(21)13-15/h2-10,12-13H,1,11H2,(H,22,26)(H,23,27).
What are the key properties of 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 47849771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).