1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide

C19H21FN4OS — CID 110628623

IUPAC1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2nccs2)nn1-c1ccccc1F
InChIInChI=1S/C19H21FN4OS/c1-12(2)10-16(19-21-8-9-26-19)22-18(25)15-11-13(3)24(23-15)17-7-5-4-6-14(17)20/h4-9,11-12,16H,10H2,1-3H3,(H,22,25)
InChIKeyKRVOSMQVGCDTLE-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.29
Rot. Bonds6

About 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide (PubChem CID 110628623) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide
PubChem CID110628623
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2nccs2)nn1-c1ccccc1F
InChIInChI=1S/C19H21FN4OS/c1-12(2)10-16(19-21-8-9-26-19)22-18(25)15-11-13(3)24(23-15)17-7-5-4-6-14(17)20/h4-9,11-12,16H,10H2,1-3H3,(H,22,25)
InChIKeyKRVOSMQVGCDTLE-UHFFFAOYSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide (CID 110628623) is 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC(CC(C)C)c2nccs2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide?
The InChIKey is KRVOSMQVGCDTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-12(2)10-16(19-21-8-9-26-19)22-18(25)15-11-13(3)24(23-15)17-7-5-4-6-14(17)20/h4-9,11-12,16H,10H2,1-3H3,(H,22,25).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110628623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).