N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

C20H20FN3O3 — CID 97132375

IUPACN-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C20H20FN3O3/c1-2-24(12-18(26)13-5-4-8-16(25)10-13)20(27)17-11-22-23-19(17)14-6-3-7-15(21)9-14/h3-11,18,25-26H,2,12H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyJSEHUFFQKJZUGS-GOSISDBHSA-N
MW369.40 g/mol
LogP3.12
Rot. Bonds6

About N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 97132375) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID97132375
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C20H20FN3O3/c1-2-24(12-18(26)13-5-4-8-16(25)10-13)20(27)17-11-22-23-19(17)14-6-3-7-15(21)9-14/h3-11,18,25-26H,2,12H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyJSEHUFFQKJZUGS-GOSISDBHSA-N
XLogP3.12
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 97132375) is N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JSEHUFFQKJZUGS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-2-24(12-18(26)13-5-4-8-16(25)10-13)20(27)17-11-22-23-19(17)14-6-3-7-15(21)9-14/h3-11,18,25-26H,2,12H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97132375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).