N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide

C24H23FN4O2 — CID 134132803

IUPACN-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide
SMILESCc1ccc(C2(CCO)CC(c3ccncc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-17-2-4-19(5-3-17)24(12-15-30)16-22(18-10-13-26-14-11-18)28-29(24)23(31)27-21-8-6-20(25)7-9-21/h2-11,13-14,30H,12,15-16H2,1H3,(H,27,31)
InChIKeyFABVFBWUQYJEHO-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.45
Rot. Bonds5

About N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide

N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide (PubChem CID 134132803) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide
PubChem CID134132803
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide
SMILESCc1ccc(C2(CCO)CC(c3ccncc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-17-2-4-19(5-3-17)24(12-15-30)16-22(18-10-13-26-14-11-18)28-29(24)23(31)27-21-8-6-20(25)7-9-21/h2-11,13-14,30H,12,15-16H2,1H3,(H,27,31)
InChIKeyFABVFBWUQYJEHO-UHFFFAOYSA-N
XLogP4.45
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide (CID 134132803) is N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide is Cc1ccc(C2(CCO)CC(c3ccncc3)=NN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide?
The InChIKey is FABVFBWUQYJEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-17-2-4-19(5-3-17)24(12-15-30)16-22(18-10-13-26-14-11-18)28-29(24)23(31)27-21-8-6-20(25)7-9-21/h2-11,13-14,30H,12,15-16H2,1H3,(H,27,31).
What are the key properties of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide?
N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylphenyl)-3-pyridin-4-yl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134132803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).