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

C19H20FN3O2S — CID 19494987

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
SMILESCc1c(CN(C)C(=O)c2cc(COc3ccccc3F)cs2)cnn1C
InChIInChI=1S/C19H20FN3O2S/c1-13-15(9-21-23(13)3)10-22(2)19(24)18-8-14(12-26-18)11-25-17-7-5-4-6-16(17)20/h4-9,12H,10-11H2,1-3H3
InChIKeyGDJPBXNAJZRBGA-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.78
Rot. Bonds6

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 19494987) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
PubChem CID19494987
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
SMILESCc1c(CN(C)C(=O)c2cc(COc3ccccc3F)cs2)cnn1C
InChIInChI=1S/C19H20FN3O2S/c1-13-15(9-21-23(13)3)10-22(2)19(24)18-8-14(12-26-18)11-25-17-7-5-4-6-16(17)20/h4-9,12H,10-11H2,1-3H3
InChIKeyGDJPBXNAJZRBGA-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498704
4-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19486645
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492909
4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19469644
4-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471628
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-difluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19469801
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(2,5-dimethylphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19471731
4-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 19483667
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491112
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495027
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(3,4-dimethylphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19481755
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 19456504

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide (CID 19494987) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide is Cc1c(CN(C)C(=O)c2cc(COc3ccccc3F)cs2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is GDJPBXNAJZRBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-13-15(9-21-23(13)3)10-22(2)19(24)18-8-14(12-26-18)11-25-17-7-5-4-6-16(17)20/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 19494987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).