N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide

C20H20FN3O3 — CID 4791179

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide
SMILESCc1c(NC(=O)C(C)Oc2cccc(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H20FN3O3/c1-13-18(20(26)24(23(13)3)16-9-5-4-6-10-16)22-19(25)14(2)27-17-11-7-8-15(21)12-17/h4-12,14H,1-3H3,(H,22,25)
InChIKeyAPRKWQVSHITOIN-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.03
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide (PubChem CID 4791179) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide
PubChem CID4791179
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide
SMILESCc1c(NC(=O)C(C)Oc2cccc(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H20FN3O3/c1-13-18(20(26)24(23(13)3)16-9-5-4-6-10-16)22-19(25)14(2)27-17-11-7-8-15(21)12-17/h4-12,14H,1-3H3,(H,22,25)
InChIKeyAPRKWQVSHITOIN-UHFFFAOYSA-N
XLogP3.03
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide (CID 4791179) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide is Cc1c(NC(=O)C(C)Oc2cccc(F)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is APRKWQVSHITOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-18(20(26)24(23(13)3)16-9-5-4-6-10-16)22-19(25)14(2)27-17-11-7-8-15(21)12-17/h4-12,14H,1-3H3,(H,22,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 369.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 4791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).