1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide

C25H21FN4O2 — CID 162675877

IUPAC1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(F)cc2)c(-c2cc(C)[nH]n2)c1
InChIInChI=1S/C25H21FN4O2/c1-15-7-12-22(21(13-15)23-14-16(2)29-30-23)28-25(32)20-6-4-3-5-19(20)24(31)27-18-10-8-17(26)9-11-18/h3-14H,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyPHDPWNCYHACCRQ-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.34
Rot. Bonds5

About 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide

1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide (PubChem CID 162675877) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide
PubChem CID162675877
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(F)cc2)c(-c2cc(C)[nH]n2)c1
InChIInChI=1S/C25H21FN4O2/c1-15-7-12-22(21(13-15)23-14-16(2)29-30-23)28-25(32)20-6-4-3-5-19(20)24(31)27-18-10-8-17(26)9-11-18/h3-14H,1-2H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyPHDPWNCYHACCRQ-UHFFFAOYSA-N
XLogP5.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide (CID 162675877) is 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide is Cc1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(F)cc2)c(-c2cc(C)[nH]n2)c1.
What is the InChIKey of 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide?
The InChIKey is PHDPWNCYHACCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-15-7-12-22(21(13-15)23-14-16(2)29-30-23)28-25(32)20-6-4-3-5-19(20)24(31)27-18-10-8-17(26)9-11-18/h3-14H,1-2H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide?
1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-2-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 162675877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).