N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide

C18H18FN3O2S — CID 39853695

IUPACN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)s1
InChIInChI=1S/C18H18FN3O2S/c1-11-7-8-16(25-11)18(23)20-17-12(2)21-22(13(17)3)10-24-15-6-4-5-14(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeySTFRRPSFODJHIE-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.30
Rot. Bonds5

About N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 39853695) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID39853695
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)s1
InChIInChI=1S/C18H18FN3O2S/c1-11-7-8-16(25-11)18(23)20-17-12(2)21-22(13(17)3)10-24-15-6-4-5-14(19)9-15/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeySTFRRPSFODJHIE-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
CID 39853786
1-(2,5-dimethylphenyl)-3-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 39853313
2-[2-[[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485754
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylbenzenesulfonamide
CID 39734380
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931
3-(2-chloro-6-fluorophenyl)-N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491363
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 39734396
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 39853954
1-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 35592263
3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 35525665
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 35525590
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492523

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide (CID 39853695) is N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)s1.
What is the InChIKey of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is STFRRPSFODJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-11-7-8-16(25-11)18(23)20-17-12(2)21-22(13(17)3)10-24-15-6-4-5-14(19)9-15/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 39853695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).