N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide

C23H21FN4OS — CID 118617243

IUPACN-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(-c3cc(C(=O)Nc4c(C)cccc4F)nn3C)c(C)s2)cn1
InChIInChI=1S/C23H21FN4OS/c1-13-6-5-7-18(24)22(13)26-23(29)19-11-20(28(4)27-19)17-10-21(30-15(17)3)16-9-8-14(2)25-12-16/h5-12H,1-4H3,(H,26,29)
InChIKeyVCTQVQTXXFETIN-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.53
Rot. Bonds4

About N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide

N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide (PubChem CID 118617243) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
PubChem CID118617243
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC NameN-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(-c3cc(C(=O)Nc4c(C)cccc4F)nn3C)c(C)s2)cn1
InChIInChI=1S/C23H21FN4OS/c1-13-6-5-7-18(24)22(13)26-23(29)19-11-20(28(4)27-19)17-10-21(30-15(17)3)16-9-8-14(2)25-12-16/h5-12H,1-4H3,(H,26,29)
InChIKeyVCTQVQTXXFETIN-UHFFFAOYSA-N
XLogP5.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide (CID 118617243) is N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide is Cc1ccc(-c2cc(-c3cc(C(=O)Nc4c(C)cccc4F)nn3C)c(C)s2)cn1.
What is the InChIKey of N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide?
The InChIKey is VCTQVQTXXFETIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-13-6-5-7-18(24)22(13)26-23(29)19-11-20(28(4)27-19)17-10-21(30-15(17)3)16-9-8-14(2)25-12-16/h5-12H,1-4H3,(H,26,29).
What are the key properties of N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide?
N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 118617243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).