5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H14ClF3N6OS — CID 999276

IUPAC5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H14ClF3N6OS/c1-9-10(8-27(2)25-9)7-23-17(29)12-6-16-24-11(13-3-4-15(19)30-13)5-14(18(20,21)22)28(16)26-12/h3-6,8H,7H2,1-2H3,(H,23,29)
InChIKeyYWXJUODMZIIEFL-UHFFFAOYSA-N
MW454.87 g/mol
LogP4.10
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 999276) has the molecular formula C18H14ClF3N6OS and a molecular weight of 454.87 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID999276
Molecular FormulaC18H14ClF3N6OS
Molecular Weight454.87 g/mol
Exact Mass454.06
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H14ClF3N6OS/c1-9-10(8-27(2)25-9)7-23-17(29)12-6-16-24-11(13-3-4-15(19)30-13)5-14(18(20,21)22)28(16)26-12/h3-6,8H,7H2,1-2H3,(H,23,29)
InChIKeyYWXJUODMZIIEFL-UHFFFAOYSA-N
XLogP4.10
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4150353
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19288556
5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3606754
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322964
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19288757
5-(5-ethylthiophen-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17021781
5-(3,4-dimethylphenyl)-N-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346278
5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19400583
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19326185
N-(1-benzylpiperidin-1-ium-4-yl)-5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4748583
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322656
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322654

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 999276) is 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YWXJUODMZIIEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N6OS/c1-9-10(8-27(2)25-9)7-23-17(29)12-6-16-24-11(13-3-4-15(19)30-13)5-14(18(20,21)22)28(16)26-12/h3-6,8H,7H2,1-2H3,(H,23,29).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 454.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 999276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).