N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C17H15F3N6OS2 — CID 19590809

IUPACN-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1cc(-c2csc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)c(C)n1
InChIInChI=1S/C17H15F3N6OS2/c1-4-26-6-10(8(2)23-26)11-7-28-16(21-11)22-14(27)12-5-9-13(17(18,19)20)24-25(3)15(9)29-12/h5-7H,4H2,1-3H3,(H,21,22,27)
InChIKeyWWLLJGZSRCRUJL-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.55
Rot. Bonds4

About N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 19590809) has the molecular formula C17H15F3N6OS2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID19590809
Molecular FormulaC17H15F3N6OS2
Molecular Weight440.48 g/mol
Exact Mass440.07
IUPAC NameN-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1cc(-c2csc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)c(C)n1
InChIInChI=1S/C17H15F3N6OS2/c1-4-26-6-10(8(2)23-26)11-7-28-16(21-11)22-14(27)12-5-9-13(17(18,19)20)24-25(3)15(9)29-12/h5-7H,4H2,1-3H3,(H,21,22,27)
InChIKeyWWLLJGZSRCRUJL-UHFFFAOYSA-N
XLogP4.55
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092784
N-[4-[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]phenyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29097560
ethyl 2-[2-[[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19617230
3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498363
N-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 19617203
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092780
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 134012248
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495148
1-[2-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502325
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29097873
N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092207
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 44824032

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 19590809) is N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CCn1cc(-c2csc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)c(C)n1.
What is the InChIKey of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WWLLJGZSRCRUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6OS2/c1-4-26-6-10(8(2)23-26)11-7-28-16(21-11)22-14(27)12-5-9-13(17(18,19)20)24-25(3)15(9)29-12/h5-7H,4H2,1-3H3,(H,21,22,27).
What are the key properties of N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 19590809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).