N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide

C17H15F2N3OS — CID 164617268

IUPACN-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cc(F)cc(F)c3)s2)n1
InChIInChI=1S/C17H15F2N3OS/c1-10-5-11(2)22(21-10)9-15-3-4-16(24-15)17(23)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyNYIBZRYGNMQWIR-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.14
Rot. Bonds4

About N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide

N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide (PubChem CID 164617268) has the molecular formula C17H15F2N3OS and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
PubChem CID164617268
Molecular FormulaC17H15F2N3OS
Molecular Weight347.39 g/mol
Exact Mass347.09
IUPAC NameN-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cc(F)cc(F)c3)s2)n1
InChIInChI=1S/C17H15F2N3OS/c1-10-5-11(2)22(21-10)9-15-3-4-16(24-15)17(23)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyNYIBZRYGNMQWIR-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 44418141
N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
Thiophene-2-carboxamide, 5-(3-trifluoromethyl-1-methyl-5-pyrazolyl)-N-methyl-
CID 621265
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-N,N-dimethyl-
CID 621268
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N-hydroxy-5-(1-(2-oxo-2-(phenylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 10246764
5-(1-(2-(3,5-difluorophenylamino)-2-oxoethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418178
N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 164620781
N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808477
N2,N2-dimethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 2819922
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
CID 5309163

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide (CID 164617268) is N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(F)cc(F)c3)s2)n1.
What is the InChIKey of N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The InChIKey is NYIBZRYGNMQWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS/c1-10-5-11(2)22(21-10)9-15-3-4-16(24-15)17(23)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 164617268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).