N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide

C19H25F2N3OS — CID 143533891

IUPACN-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide
SMILESCCC(F)(F)c1cc(-c2ccc(C(=O)NCC3CCCCC3)s2)nn1C
InChIInChI=1S/C19H25F2N3OS/c1-3-19(20,21)17-11-14(23-24(17)2)15-9-10-16(26-15)18(25)22-12-13-7-5-4-6-8-13/h9-11,13H,3-8,12H2,1-2H3,(H,22,25)
InChIKeyWYCODGKKQRVTPZ-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.96
Rot. Bonds6

About N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide

N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 143533891) has the molecular formula C19H25F2N3OS and a molecular weight of 381.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide
PubChem CID143533891
Molecular FormulaC19H25F2N3OS
Molecular Weight381.49 g/mol
Exact Mass381.17
IUPAC NameN-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide
SMILESCCC(F)(F)c1cc(-c2ccc(C(=O)NCC3CCCCC3)s2)nn1C
InChIInChI=1S/C19H25F2N3OS/c1-3-19(20,21)17-11-14(23-24(17)2)15-9-10-16(26-15)18(25)22-12-13-7-5-4-6-8-13/h9-11,13H,3-8,12H2,1-2H3,(H,22,25)
InChIKeyWYCODGKKQRVTPZ-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 143533823
N-(cycloheptylmethyl)-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46083086
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58955928
N-(2-bicyclo[2.2.2]octanyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58329684
azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955900
N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane
CID 143534142
aziridin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955761
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
CID 22288389
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide
CID 67089205
N,N-bis(2-hydroxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-butyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(cyanomethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dicyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 157440498

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide (CID 143533891) is N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide is CCC(F)(F)c1cc(-c2ccc(C(=O)NCC3CCCCC3)s2)nn1C.
What is the InChIKey of N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is WYCODGKKQRVTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3OS/c1-3-19(20,21)17-11-14(23-24(17)2)15-9-10-16(26-15)18(25)22-12-13-7-5-4-6-8-13/h9-11,13H,3-8,12H2,1-2H3,(H,22,25).
What are the key properties of N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide?
N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 143533891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).