N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H16ClF3N6OS — CID 19322964

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4c(Cl)cnn4C)cc3n2)s1
InChIInChI=1S/C19H16ClF3N6OS/c1-3-10-4-5-15(31-10)12-6-16(19(21,22)23)29-17(26-12)7-13(27-29)18(30)24-9-14-11(20)8-25-28(14)2/h4-8H,3,9H2,1-2H3,(H,24,30)
InChIKeySPRLICHTUVAOSI-UHFFFAOYSA-N
MW468.89 g/mol
LogP4.36
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19322964) has the molecular formula C19H16ClF3N6OS and a molecular weight of 468.89 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19322964
Molecular FormulaC19H16ClF3N6OS
Molecular Weight468.89 g/mol
Exact Mass468.07
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4c(Cl)cnn4C)cc3n2)s1
InChIInChI=1S/C19H16ClF3N6OS/c1-3-10-4-5-15(31-10)12-6-16(19(21,22)23)29-17(26-12)7-13(27-29)18(30)24-9-14-11(20)8-25-28(14)2/h4-8H,3,9H2,1-2H3,(H,24,30)
InChIKeySPRLICHTUVAOSI-UHFFFAOYSA-N
XLogP4.36
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-ethylthiophen-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17021781
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-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000173
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322656
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-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322654
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19393196
5-(5-chlorothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 999276
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19297905
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98338279
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19335934
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19392697

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19322964) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4c(Cl)cnn4C)cc3n2)s1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SPRLICHTUVAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N6OS/c1-3-10-4-5-15(31-10)12-6-16(19(21,22)23)29-17(26-12)7-13(27-29)18(30)24-9-14-11(20)8-25-28(14)2/h4-8H,3,9H2,1-2H3,(H,24,30).
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 468.89 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19322964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).