1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

C19H15FN4O2S — CID 17021279

IUPAC1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3ccn(COc4ccc(F)cc4)n3)nc12
InChIInChI=1S/C19H15FN4O2S/c1-12-3-2-4-16-17(12)21-19(27-16)22-18(25)15-9-10-24(23-15)11-26-14-7-5-13(20)6-8-14/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyRREIPCNUQSKILJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.23
Rot. Bonds5

About 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 17021279) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID17021279
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cccc2sc(NC(=O)c3ccn(COc4ccc(F)cc4)n3)nc12
InChIInChI=1S/C19H15FN4O2S/c1-12-3-2-4-16-17(12)21-19(27-16)22-18(25)15-9-10-24(23-15)11-26-14-7-5-13(20)6-8-14/h2-10H,11H2,1H3,(H,21,22,25)
InChIKeyRREIPCNUQSKILJ-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
1-[(4-methoxyphenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 4776848
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273587
1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269246
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
N-(6-chloro-1,3-benzothiazol-2-yl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19581726
1-[(3,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19276149
N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269235
1-[(4-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4774579
1-[(2,6-dichlorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 17021915

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 17021279) is 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is Cc1cccc2sc(NC(=O)c3ccn(COc4ccc(F)cc4)n3)nc12.
What is the InChIKey of 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is RREIPCNUQSKILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-12-3-2-4-16-17(12)21-19(27-16)22-18(25)15-9-10-24(23-15)11-26-14-7-5-13(20)6-8-14/h2-10H,11H2,1H3,(H,21,22,25).
What are the key properties of 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenoxy)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 17021279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).