1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide

C16H21FN4O3S — CID 19584457

IUPAC1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H21FN4O3S/c1-4-21-10-14(15(19-21)16(22)18-9-11(2)3)20-25(23,24)13-7-5-12(17)6-8-13/h5-8,10-11,20H,4,9H2,1-3H3,(H,18,22)
InChIKeyRBHGTKGWPSDPQL-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.23
Rot. Bonds7

About 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide

1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19584457) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19584457
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H21FN4O3S/c1-4-21-10-14(15(19-21)16(22)18-9-11(2)3)20-25(23,24)13-7-5-12(17)6-8-13/h5-8,10-11,20H,4,9H2,1-3H3,(H,18,22)
InChIKeyRBHGTKGWPSDPQL-UHFFFAOYSA-N
XLogP2.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19584457) is 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is RBHGTKGWPSDPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-4-21-10-14(15(19-21)16(22)18-9-11(2)3)20-25(23,24)13-7-5-12(17)6-8-13/h5-8,10-11,20H,4,9H2,1-3H3,(H,18,22).
What are the key properties of 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19584457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).