N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

C17H21FN4O3S — CID 53142854

IUPACN-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2F)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21FN4O3S/c1-21-12-14(16(23)19-11-13-7-3-4-8-15(13)18)17(20-21)26(24,25)22-9-5-2-6-10-22/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,23)
InChIKeyFYUTUNKCOBCLCF-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.66
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (PubChem CID 53142854) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
PubChem CID53142854
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2F)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21FN4O3S/c1-21-12-14(16(23)19-11-13-7-3-4-8-15(13)18)17(20-21)26(24,25)22-9-5-2-6-10-22/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,23)
InChIKeyFYUTUNKCOBCLCF-UHFFFAOYSA-N
XLogP1.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide (CID 53142854) is N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccc2F)c(S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is FYUTUNKCOBCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-21-12-14(16(23)19-11-13-7-3-4-8-15(13)18)17(20-21)26(24,25)22-9-5-2-6-10-22/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,19,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 53142854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).