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

C22H23F3N6OS — CID 999320

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cn(CC)nc4C)cc3n2)s1
InChIInChI=1S/C22H23F3N6OS/c1-5-15-7-8-18(33-15)16-9-19(22(23,24)25)31-20(26-16)10-17(28-31)21(32)29(4)11-14-12-30(6-2)27-13(14)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeySCPMEGNUTMAOPP-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.84
Rot. Bonds6

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 999320) has the molecular formula C22H23F3N6OS and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID999320
Molecular FormulaC22H23F3N6OS
Molecular Weight476.53 g/mol
Exact Mass476.16
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cn(CC)nc4C)cc3n2)s1
InChIInChI=1S/C22H23F3N6OS/c1-5-15-7-8-18(33-15)16-9-19(22(23,24)25)31-20(26-16)10-17(28-31)21(32)29(4)11-14-12-30(6-2)27-13(14)3/h7-10,12H,5-6,11H2,1-4H3
InChIKeySCPMEGNUTMAOPP-UHFFFAOYSA-N
XLogP4.84
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 999320) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)Cc4cn(CC)nc4C)cc3n2)s1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SCPMEGNUTMAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6OS/c1-5-15-7-8-18(33-15)16-9-19(22(23,24)25)31-20(26-16)10-17(28-31)21(32)29(4)11-14-12-30(6-2)27-13(14)3/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(5-ethylthiophen-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 999320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).