N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23F2N5OS — CID 46975225

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1
InChIInChI=1S/C20H23F2N5OS/c1-20(2,3)15-10-29-16(26-15)6-7-23-19(28)12-9-24-27-14(17(21)22)8-13(11-4-5-11)25-18(12)27/h8-11,17H,4-7H2,1-3H3,(H,23,28)
InChIKeyWWOBWFBHKCPUNL-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46975225) has the molecular formula C20H23F2N5OS and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46975225
Molecular FormulaC20H23F2N5OS
Molecular Weight419.50 g/mol
Exact Mass419.16
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1
InChIInChI=1S/C20H23F2N5OS/c1-20(2,3)15-10-29-16(26-15)6-7-23-19(28)12-9-24-27-14(17(21)22)8-13(11-4-5-11)25-18(12)27/h8-11,17H,4-7H2,1-3H3,(H,23,28)
InChIKeyWWOBWFBHKCPUNL-UHFFFAOYSA-N
XLogP4.27
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46975225) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)c1csc(CCNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WWOBWFBHKCPUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5OS/c1-20(2,3)15-10-29-16(26-15)6-7-23-19(28)12-9-24-27-14(17(21)22)8-13(11-4-5-11)25-18(12)27/h8-11,17H,4-7H2,1-3H3,(H,23,28).
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46975225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).