N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide

C26H24FN5O3S — CID 20595251

IUPACN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C26H24FN5O3S/c1-16-12-23(26(33)29-21-9-8-19(13-20(21)27)25-28-10-11-31(25)2)32(30-16)22-14-17-6-4-5-7-18(17)15-24(22)36(3,34)35/h4-9,12-15H,10-11H2,1-3H3,(H,29,33)
InChIKeyNMRULGHWGDHFNT-UHFFFAOYSA-N
MW505.58 g/mol
LogP3.82
Rot. Bonds5

About N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide

N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide (PubChem CID 20595251) has the molecular formula C26H24FN5O3S and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
PubChem CID20595251
Molecular FormulaC26H24FN5O3S
Molecular Weight505.58 g/mol
Exact Mass505.16
IUPAC NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1
InChIInChI=1S/C26H24FN5O3S/c1-16-12-23(26(33)29-21-9-8-19(13-20(21)27)25-28-10-11-31(25)2)32(30-16)22-14-17-6-4-5-7-18(17)15-24(22)36(3,34)35/h4-9,12-15H,10-11H2,1-3H3,(H,29,33)
InChIKeyNMRULGHWGDHFNT-UHFFFAOYSA-N
XLogP3.82
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide (CID 20595251) is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C3=NCCN3C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1.
What is the InChIKey of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
The InChIKey is NMRULGHWGDHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3S/c1-16-12-23(26(33)29-21-9-8-19(13-20(21)27)25-28-10-11-31(25)2)32(30-16)22-14-17-6-4-5-7-18(17)15-24(22)36(3,34)35/h4-9,12-15H,10-11H2,1-3H3,(H,29,33).
What are the key properties of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide?
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-5-methyl-2-(3-methylsulfonylnaphthalen-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 20595251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).