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

C25H21ClFN5O — CID 21366644

IUPAC2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1
InChIInChI=1S/C25H21ClFN5O/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)
InChIKeyBHHPGXYNBQCNQM-UHFFFAOYSA-N
MW461.93 g/mol
LogP5.07
Rot. Bonds4

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

2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 21366644) has the molecular formula C25H21ClFN5O and a molecular weight of 461.93 g/mol. Its IUPAC name is 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID21366644
Molecular FormulaC25H21ClFN5O
Molecular Weight461.93 g/mol
Exact Mass461.14
IUPAC Name2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1
InChIInChI=1S/C25H21ClFN5O/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)
InChIKeyBHHPGXYNBQCNQM-UHFFFAOYSA-N
XLogP5.07
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.93
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide (CID 21366644) is 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1.
What is the InChIKey of 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is BHHPGXYNBQCNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O/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-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide?
2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 461.93 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 21366644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).