N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide

C23H19F2N3O2 — CID 134147928

IUPACN,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1(CO)c1ccc(F)cc1
InChIInChI=1S/C23H19F2N3O2/c24-18-8-6-17(7-9-18)23(15-29)14-21(16-4-2-1-3-5-16)27-28(23)22(30)26-20-12-10-19(25)11-13-20/h1-13,29H,14-15H2,(H,26,30)
InChIKeyTWFRJVDERSSRTP-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.49
Rot. Bonds4

About N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide

N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 134147928) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide
PubChem CID134147928
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1(CO)c1ccc(F)cc1
InChIInChI=1S/C23H19F2N3O2/c24-18-8-6-17(7-9-18)23(15-29)14-21(16-4-2-1-3-5-16)27-28(23)22(30)26-20-12-10-19(25)11-13-20/h1-13,29H,14-15H2,(H,26,30)
InChIKeyTWFRJVDERSSRTP-UHFFFAOYSA-N
XLogP4.49
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide (CID 134147928) is N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide is O=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1(CO)c1ccc(F)cc1.
What is the InChIKey of N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is TWFRJVDERSSRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-18-8-6-17(7-9-18)23(15-29)14-21(16-4-2-1-3-5-16)27-28(23)22(30)26-20-12-10-19(25)11-13-20/h1-13,29H,14-15H2,(H,26,30).
What are the key properties of N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide?
N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134147928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).