2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C23H27FN4O — CID 42877236

IUPAC2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc2nc(C(=O)NC3CCCCC3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C23H27FN4O/c1-23(2,3)20-14-21-26-18(22(29)25-17-10-5-4-6-11-17)13-19(28(21)27-20)15-8-7-9-16(24)12-15/h7-9,12-14,17H,4-6,10-11H2,1-3H3,(H,25,29)
InChIKeyMZOCBAQXRGOGRT-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.90
Rot. Bonds3

About 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 42877236) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID42877236
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc2nc(C(=O)NC3CCCCC3)cc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C23H27FN4O/c1-23(2,3)20-14-21-26-18(22(29)25-17-10-5-4-6-11-17)13-19(28(21)27-20)15-8-7-9-16(24)12-15/h7-9,12-14,17H,4-6,10-11H2,1-3H3,(H,25,29)
InChIKeyMZOCBAQXRGOGRT-UHFFFAOYSA-N
XLogP4.90
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-7-(3-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46170341
N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079558
2-tert-butyl-7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079587
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
2-tert-butyl-N-cyclohexyl-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080012
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46472289
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703
[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42877209
(6R)-2-tert-butyl-N-cyclohexyl-5-(3-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92903562
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 42877236) is 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)(C)c1cc2nc(C(=O)NC3CCCCC3)cc(-c3cccc(F)c3)n2n1.
What is the InChIKey of 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is MZOCBAQXRGOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-23(2,3)20-14-21-26-18(22(29)25-17-10-5-4-6-11-17)13-19(28(21)27-20)15-8-7-9-16(24)12-15/h7-9,12-14,17H,4-6,10-11H2,1-3H3,(H,25,29).
What are the key properties of 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 42877236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).