N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide

C17H16FN3OS — CID 35279066

IUPACN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cccs1
InChIInChI=1S/C17H16FN3OS/c1-11-16(19-17(22)15-7-4-8-23-15)12(2)21(20-11)10-13-5-3-6-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyZLBMGTZTQJODIN-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.00
Rot. Bonds4

About N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide

N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 35279066) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
PubChem CID35279066
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
SMILESCc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cccs1
InChIInChI=1S/C17H16FN3OS/c1-11-16(19-17(22)15-7-4-8-23-15)12(2)21(20-11)10-13-5-3-6-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyZLBMGTZTQJODIN-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide (CID 35279066) is N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide is Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cccs1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is ZLBMGTZTQJODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-11-16(19-17(22)15-7-4-8-23-15)12(2)21(20-11)10-13-5-3-6-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 35279066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).