4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

C18H16ClF2N3O2S — CID 19494713

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCc1nn(Cc2csc(C(=O)Nc3ccc(OC(F)F)cc3)c2)c(C)c1Cl
InChIInChI=1S/C18H16ClF2N3O2S/c1-10-16(19)11(2)24(23-10)8-12-7-15(27-9-12)17(25)22-13-3-5-14(6-4-13)26-18(20)21/h3-7,9,18H,8H2,1-2H3,(H,22,25)
InChIKeyQGQUUZPMQOLLOR-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.12
Rot. Bonds6

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 19494713) has the molecular formula C18H16ClF2N3O2S and a molecular weight of 411.86 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID19494713
Molecular FormulaC18H16ClF2N3O2S
Molecular Weight411.86 g/mol
Exact Mass411.06
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCc1nn(Cc2csc(C(=O)Nc3ccc(OC(F)F)cc3)c2)c(C)c1Cl
InChIInChI=1S/C18H16ClF2N3O2S/c1-10-16(19)11(2)24(23-10)8-12-7-15(27-9-12)17(25)22-13-3-5-14(6-4-13)26-18(20)21/h3-7,9,18H,8H2,1-2H3,(H,22,25)
InChIKeyQGQUUZPMQOLLOR-UHFFFAOYSA-N
XLogP5.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19494718
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 19494703
5-chloro-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26246271
N-[4-(difluoromethoxy)phenyl]-4-[(4-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494949
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanone
CID 19494634
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493011
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19494537
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483292
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19494666
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19491036
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 27331273

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (CID 19494713) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is Cc1nn(Cc2csc(C(=O)Nc3ccc(OC(F)F)cc3)c2)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is QGQUUZPMQOLLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2S/c1-10-16(19)11(2)24(23-10)8-12-7-15(27-9-12)17(25)22-13-3-5-14(6-4-13)26-18(20)21/h3-7,9,18H,8H2,1-2H3,(H,22,25).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 411.86 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19494713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).