N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20F4N4O — CID 2883919

IUPACN-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F
InChIInChI=1S/C18H20F4N4O/c1-17(2,3)25-16(27)12-9-23-26-14(18(20,21)22)8-13(24-15(12)26)10-4-6-11(19)7-5-10/h4-7,9,13-14,24H,8H2,1-3H3,(H,25,27)
InChIKeySDXLBUODBVJIRQ-UHFFFAOYSA-N
MW384.38 g/mol
LogP4.21
Rot. Bonds2

About N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2883919) has the molecular formula C18H20F4N4O and a molecular weight of 384.38 g/mol. Its IUPAC name is N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2883919
Molecular FormulaC18H20F4N4O
Molecular Weight384.38 g/mol
Exact Mass384.16
IUPAC NameN-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F
InChIInChI=1S/C18H20F4N4O/c1-17(2,3)25-16(27)12-9-23-26-14(18(20,21)22)8-13(24-15(12)26)10-4-6-11(19)7-5-10/h4-7,9,13-14,24H,8H2,1-3H3,(H,25,27)
InChIKeySDXLBUODBVJIRQ-UHFFFAOYSA-N
XLogP4.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2883919) is N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)NC(=O)c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F.
What is the InChIKey of N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SDXLBUODBVJIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4O/c1-17(2,3)25-16(27)12-9-23-26-14(18(20,21)22)8-13(24-15(12)26)10-4-6-11(19)7-5-10/h4-7,9,13-14,24H,8H2,1-3H3,(H,25,27).
What are the key properties of N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2883919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).