N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide

C19H18FN3O2 — CID 53198513

IUPACN-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide
SMILESCc1[nH]nc(NC(=O)COCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-13-18(15-7-9-16(20)10-8-15)19(23-22-13)21-17(24)12-25-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyWRZPHEBIMQJHEQ-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.68
Rot. Bonds6

About N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide

N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide (PubChem CID 53198513) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide
PubChem CID53198513
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide
SMILESCc1[nH]nc(NC(=O)COCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-13-18(15-7-9-16(20)10-8-15)19(23-22-13)21-17(24)12-25-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyWRZPHEBIMQJHEQ-UHFFFAOYSA-N
XLogP3.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide (CID 53198513) is N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide is Cc1[nH]nc(NC(=O)COCc2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide?
The InChIKey is WRZPHEBIMQJHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-18(15-7-9-16(20)10-8-15)19(23-22-13)21-17(24)12-25-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,21,22,23,24).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide?
N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide has a molecular weight of 339.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 53198513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).