2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H28N4O — CID 7327903

IUPAC2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H](C)c2ccccc2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C22H28N4O/c1-14(2)20-17(21(27)24-15(3)16-10-8-7-9-11-16)13-23-19-12-18(22(4,5)6)25-26(19)20/h7-15H,1-6H3,(H,24,27)/t15-/m1/s1
InChIKeyBHIIHBMANNXIOA-OAHLLOKOSA-N
MW364.49 g/mol
LogP4.64
Rot. Bonds4

About 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 7327903) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID7327903
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H](C)c2ccccc2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C22H28N4O/c1-14(2)20-17(21(27)24-15(3)16-10-8-7-9-11-16)13-23-19-12-18(22(4,5)6)25-26(19)20/h7-15H,1-6H3,(H,24,27)/t15-/m1/s1
InChIKeyBHIIHBMANNXIOA-OAHLLOKOSA-N
XLogP4.64
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7419548
2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7493376
2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5097942
3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773853
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
2,7-diphenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4023697
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 7327903) is 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)c1c(C(=O)N[C@H](C)c2ccccc2)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BHIIHBMANNXIOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N4O/c1-14(2)20-17(21(27)24-15(3)16-10-8-7-9-11-16)13-23-19-12-18(22(4,5)6)25-26(19)20/h7-15H,1-6H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 7327903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).