1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C23H21FN6O — CID 42277112

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCc3ccccn3)c2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN6O/c1-15-13-27-23(29-21(15)17-6-8-18(24)9-7-17)30-16(2)20(14-28-30)22(31)26-12-10-19-5-3-4-11-25-19/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,31)
InChIKeyCWKYREVGEZSYOL-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 42277112) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID42277112
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)NCCc3ccccn3)c2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN6O/c1-15-13-27-23(29-21(15)17-6-8-18(24)9-7-17)30-16(2)20(14-28-30)22(31)26-12-10-19-5-3-4-11-25-19/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,31)
InChIKeyCWKYREVGEZSYOL-UHFFFAOYSA-N
XLogP3.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 42277112) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)NCCc3ccccn3)c2C)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is CWKYREVGEZSYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-15-13-27-23(29-21(15)17-6-8-18(24)9-7-17)30-16(2)20(14-28-30)22(31)26-12-10-19-5-3-4-11-25-19/h3-9,11,13-14H,10,12H2,1-2H3,(H,26,31).
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42277112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).