3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide

C18H14Br2N4O2 — CID 1021427

IUPAC3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2ccc(Br)cc2)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N4O2/c1-24-16(18(26)22-14-8-4-12(20)5-9-14)10-15(23-24)17(25)21-13-6-2-11(19)3-7-13/h2-10H,1H3,(H,21,25)(H,22,26)
InChIKeyVBHCPQXRNCHINY-UHFFFAOYSA-N
MW478.14 g/mol
LogP4.45
Rot. Bonds4

About 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 1021427) has the molecular formula C18H14Br2N4O2 and a molecular weight of 478.14 g/mol. Its IUPAC name is 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID1021427
Molecular FormulaC18H14Br2N4O2
Molecular Weight478.14 g/mol
Exact Mass475.95
IUPAC Name3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)Nc2ccc(Br)cc2)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14Br2N4O2/c1-24-16(18(26)22-14-8-4-12(20)5-9-14)10-15(23-24)17(25)21-13-6-2-11(19)3-7-13/h2-10H,1H3,(H,21,25)(H,22,26)
InChIKeyVBHCPQXRNCHINY-UHFFFAOYSA-N
XLogP4.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.14
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 1021427) is 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide is Cn1nc(C(=O)Nc2ccc(Br)cc2)cc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is VBHCPQXRNCHINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N4O2/c1-24-16(18(26)22-14-8-4-12(20)5-9-14)10-15(23-24)17(25)21-13-6-2-11(19)3-7-13/h2-10H,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 478.14 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(4-bromophenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 1021427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).