N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C18H20N4O — CID 24716804

IUPACN-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H20N4O/c1-12-10-15(17(23)20-18(2,3)4)19-16-11-14(21-22(12)16)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,23)
InChIKeyQKSRVIFIJDPHCY-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.23
Rot. Bonds2

About N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 24716804) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID24716804
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H20N4O/c1-12-10-15(17(23)20-18(2,3)4)19-16-11-14(21-22(12)16)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,23)
InChIKeyQKSRVIFIJDPHCY-UHFFFAOYSA-N
XLogP3.23
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 24716804) is N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is QKSRVIFIJDPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-10-15(17(23)20-18(2,3)4)19-16-11-14(21-22(12)16)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,20,23).
What are the key properties of N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 24716804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).