N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide

C20H18FN3O — CID 44563822

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)c(F)c1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H18FN3O/c21-17-10-13(6-9-16(17)14-4-2-1-3-5-14)11-20(25)22-19-12-18(23-24-19)15-7-8-15/h1-6,9-10,12,15H,7-8,11H2,(H2,22,23,24,25)
InChIKeyZXSYFAVSCAKWOK-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.27
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide (PubChem CID 44563822) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide
PubChem CID44563822
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)c(F)c1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H18FN3O/c21-17-10-13(6-9-16(17)14-4-2-1-3-5-14)11-20(25)22-19-12-18(23-24-19)15-7-8-15/h1-6,9-10,12,15H,7-8,11H2,(H2,22,23,24,25)
InChIKeyZXSYFAVSCAKWOK-UHFFFAOYSA-N
XLogP4.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide (CID 44563822) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)c(F)c1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide?
The InChIKey is ZXSYFAVSCAKWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-17-10-13(6-9-16(17)14-4-2-1-3-5-14)11-20(25)22-19-12-18(23-24-19)15-7-8-15/h1-6,9-10,12,15H,7-8,11H2,(H2,22,23,24,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide has a molecular weight of 335.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-phenylphenyl)acetamide is sourced from PubChem (CID 44563822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).