1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

C19H16FN3O — CID 135315796

IUPAC1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16FN3O/c20-15-8-6-14(7-9-15)19(11-12-19)18(24)21-17-10-13-23(22-17)16-4-2-1-3-5-16/h1-10,13H,11-12H2,(H,21,22,24)
InChIKeyYEXHBQQQHOCJLL-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 135315796) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID135315796
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16FN3O/c20-15-8-6-14(7-9-15)19(11-12-19)18(24)21-17-10-13-23(22-17)16-4-2-1-3-5-16/h1-10,13H,11-12H2,(H,21,22,24)
InChIKeyYEXHBQQQHOCJLL-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 135315796) is 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is YEXHBQQQHOCJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-15-8-6-14(7-9-15)19(11-12-19)18(24)21-17-10-13-23(22-17)16-4-2-1-3-5-16/h1-10,13H,11-12H2,(H,21,22,24).
What are the key properties of 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135315796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).