5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide

C18H16FN3O2 — CID 166203015

IUPAC5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C18H16FN3O2/c19-15-9-5-4-8-13(15)17-14(10-20-22-17)18(24)21-16(11-23)12-6-2-1-3-7-12/h1-10,16,23H,11H2,(H,20,22)(H,21,24)/t16-/m0/s1
InChIKeyAMZOJXHPXLZUNV-INIZCTEOSA-N
MW325.34 g/mol
LogP2.68
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 166203015) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
PubChem CID166203015
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C18H16FN3O2/c19-15-9-5-4-8-13(15)17-14(10-20-22-17)18(24)21-16(11-23)12-6-2-1-3-7-12/h1-10,16,23H,11H2,(H,20,22)(H,21,24)/t16-/m0/s1
InChIKeyAMZOJXHPXLZUNV-INIZCTEOSA-N
XLogP2.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide (CID 166203015) is 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AMZOJXHPXLZUNV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-9-5-4-8-13(15)17-14(10-20-22-17)18(24)21-16(11-23)12-6-2-1-3-7-12/h1-10,16,23H,11H2,(H,20,22)(H,21,24)/t16-/m0/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166203015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).