N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C15H13FN4O4S — CID 87011350

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H13FN4O4S/c1-8-14(9(2)24-19-8)25(22,23)20-15(21)13-7-12(17-18-13)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,17,18)(H,20,21)
InChIKeyRDNKGMBYUINZOC-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.94
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 87011350) has the molecular formula C15H13FN4O4S and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID87011350
Molecular FormulaC15H13FN4O4S
Molecular Weight364.36 g/mol
Exact Mass364.06
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H13FN4O4S/c1-8-14(9(2)24-19-8)25(22,23)20-15(21)13-7-12(17-18-13)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,17,18)(H,20,21)
InChIKeyRDNKGMBYUINZOC-UHFFFAOYSA-N
XLogP1.94
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 87011350) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RDNKGMBYUINZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S/c1-8-14(9(2)24-19-8)25(22,23)20-15(21)13-7-12(17-18-13)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H,17,18)(H,20,21).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 87011350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).