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

C19H18ClF2N3O2S — CID 19494703

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cn3nc(C)c(Cl)c3C)cs2)c(OC(F)F)c1
InChIInChI=1S/C19H18ClF2N3O2S/c1-10-4-5-14(15(6-10)27-19(21)22)23-18(26)16-7-13(9-28-16)8-25-12(3)17(20)11(2)24-25/h4-7,9,19H,8H2,1-3H3,(H,23,26)
InChIKeyJORAHRBMNBKRSW-UHFFFAOYSA-N
MW425.89 g/mol
LogP5.43
Rot. Bonds6

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

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 19494703) has the molecular formula C19H18ClF2N3O2S and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide
PubChem CID19494703
Molecular FormulaC19H18ClF2N3O2S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cn3nc(C)c(Cl)c3C)cs2)c(OC(F)F)c1
InChIInChI=1S/C19H18ClF2N3O2S/c1-10-4-5-14(15(6-10)27-19(21)22)23-18(26)16-7-13(9-28-16)8-25-12(3)17(20)11(2)24-25/h4-7,9,19H,8H2,1-3H3,(H,23,26)
InChIKeyJORAHRBMNBKRSW-UHFFFAOYSA-N
XLogP5.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.89
LogP ≤ 55.43
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-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 19494713
N-[2-(difluoromethoxy)-4-methylphenyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490937
N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495087
1-[2-(difluoromethoxy)-4-methylphenyl]-3-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19342489
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanone
CID 19494634
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490756
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474320
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19526148

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide (CID 19494703) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(Cn3nc(C)c(Cl)c3C)cs2)c(OC(F)F)c1.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is JORAHRBMNBKRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O2S/c1-10-4-5-14(15(6-10)27-19(21)22)23-18(26)16-7-13(9-28-16)8-25-12(3)17(20)11(2)24-25/h4-7,9,19H,8H2,1-3H3,(H,23,26).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 425.89 g/mol, XLogP of 5.43, 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-[2-(difluoromethoxy)-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19494703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).