N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide

C19H16FN3O — CID 42601145

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O/c20-15-10-8-14(9-11-15)19(24)21-18-12-17(13-6-7-13)22-23(18)16-4-2-1-3-5-16/h1-5,8-13H,6-7H2,(H,21,24)
InChIKeyBARNILAXPIMUOI-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.14
Rot. Bonds4

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide (PubChem CID 42601145) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide
PubChem CID42601145
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O/c20-15-10-8-14(9-11-15)19(24)21-18-12-17(13-6-7-13)22-23(18)16-4-2-1-3-5-16/h1-5,8-13H,6-7H2,(H,21,24)
InChIKeyBARNILAXPIMUOI-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide (CID 42601145) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide is O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide?
The InChIKey is BARNILAXPIMUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-15-10-8-14(9-11-15)19(24)21-18-12-17(13-6-7-13)22-23(18)16-4-2-1-3-5-16/h1-5,8-13H,6-7H2,(H,21,24).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide has a molecular weight of 321.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 42601145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).