N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C17H22FN3O2 — CID 70781773

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(O)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H22FN3O2/c1-11(2)8-14-9-15(21(3)20-14)17(23)19-10-16(22)12-4-6-13(18)7-5-12/h4-7,9,11,16,22H,8,10H2,1-3H3,(H,19,23)
InChIKeyGFKGWVNHMKYODW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 70781773) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID70781773
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(O)c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H22FN3O2/c1-11(2)8-14-9-15(21(3)20-14)17(23)19-10-16(22)12-4-6-13(18)7-5-12/h4-7,9,11,16,22H,8,10H2,1-3H3,(H,19,23)
InChIKeyGFKGWVNHMKYODW-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 70781773) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC(O)c2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is GFKGWVNHMKYODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11(2)8-14-9-15(21(3)20-14)17(23)19-10-16(22)12-4-6-13(18)7-5-12/h4-7,9,11,16,22H,8,10H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70781773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).