2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide

C25H21BrClN5O — CID 21366620

IUPAC2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2Cl)n(-c2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C25H21BrClN5O/c1-15-11-23(32(30-15)20-7-4-16-12-19(26)6-3-17(16)13-20)25(33)29-22-8-5-18(14-21(22)27)24-28-9-10-31(24)2/h3-8,11-14H,9-10H2,1-2H3,(H,29,33)
InChIKeyWQZDUEACXPHTFD-UHFFFAOYSA-N
MW522.83 g/mol
LogP5.69
Rot. Bonds4

About 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide

2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 21366620) has the molecular formula C25H21BrClN5O and a molecular weight of 522.83 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID21366620
Molecular FormulaC25H21BrClN5O
Molecular Weight522.83 g/mol
Exact Mass521.06
IUPAC Name2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2Cl)n(-c2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C25H21BrClN5O/c1-15-11-23(32(30-15)20-7-4-16-12-19(26)6-3-17(16)13-20)25(33)29-22-8-5-18(14-21(22)27)24-28-9-10-31(24)2/h3-8,11-14H,9-10H2,1-2H3,(H,29,33)
InChIKeyWQZDUEACXPHTFD-UHFFFAOYSA-N
XLogP5.69
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.83
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide (CID 21366620) is 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2Cl)n(-c2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is WQZDUEACXPHTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrClN5O/c1-15-11-23(32(30-15)20-7-4-16-12-19(26)6-3-17(16)13-20)25(33)29-22-8-5-18(14-21(22)27)24-28-9-10-31(24)2/h3-8,11-14H,9-10H2,1-2H3,(H,29,33).
What are the key properties of 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 522.83 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-N-[2-chloro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 21366620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).