N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C21H21FN4O2 — CID 31882537

IUPACN-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1
InChIInChI=1S/C21H21FN4O2/c1-13(2)20-19(12-23-26(20)18-10-4-15(22)5-11-18)21(28)25-17-8-6-16(7-9-17)24-14(3)27/h4-13H,1-3H3,(H,24,27)(H,25,28)
InChIKeyCJXPQSBJLQOFQT-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.35
Rot. Bonds5

About N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 31882537) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID31882537
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1
InChIInChI=1S/C21H21FN4O2/c1-13(2)20-19(12-23-26(20)18-10-4-15(22)5-11-18)21(28)25-17-8-6-16(7-9-17)24-14(3)27/h4-13H,1-3H3,(H,24,27)(H,25,28)
InChIKeyCJXPQSBJLQOFQT-UHFFFAOYSA-N
XLogP4.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056
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CID 31887523
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56556091
N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 126785728
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
1-(4-fluorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 46456579
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CID 55595553
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31993797
N-(3-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119998270
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119457171
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 31882537) is N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CJXPQSBJLQOFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13(2)20-19(12-23-26(20)18-10-4-15(22)5-11-18)21(28)25-17-8-6-16(7-9-17)24-14(3)27/h4-13H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31882537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).