7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C18H19FN4O — CID 53040929

IUPAC7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C18H19FN4O/c1-18(2,3)15-10-14(22-16-8-9-21-23(15)16)17(24)20-11-12-4-6-13(19)7-5-12/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyAJOBXVYQBGHHLV-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.10
Rot. Bonds3

About 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040929) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040929
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12
InChIInChI=1S/C18H19FN4O/c1-18(2,3)15-10-14(22-16-8-9-21-23(15)16)17(24)20-11-12-4-6-13(19)7-5-12/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyAJOBXVYQBGHHLV-UHFFFAOYSA-N
XLogP3.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040929) is 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)(C)c1cc(C(=O)NCc2ccc(F)cc2)nc2ccnn12.
What is the InChIKey of 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is AJOBXVYQBGHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-18(2,3)15-10-14(22-16-8-9-21-23(15)16)17(24)20-11-12-4-6-13(19)7-5-12/h4-10H,11H2,1-3H3,(H,20,24).
What are the key properties of 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).