2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C26H28N4O — CID 7419548

IUPAC2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C26H28N4O/c1-18-21(17-27-24-16-23(26(2,3)4)29-30(18)24)25(31)28-22(20-13-9-6-10-14-20)15-19-11-7-5-8-12-19/h5-14,16-17,22H,15H2,1-4H3,(H,28,31)/t22-/m0/s1
InChIKeyKWVCNUUEDLRNBJ-QFIPXVFZSA-N
MW412.54 g/mol
LogP5.05
Rot. Bonds5

About 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 7419548) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID7419548
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C26H28N4O/c1-18-21(17-27-24-16-23(26(2,3)4)29-30(18)24)25(31)28-22(20-13-9-6-10-14-20)15-19-11-7-5-8-12-19/h5-14,16-17,22H,15H2,1-4H3,(H,28,31)/t22-/m0/s1
InChIKeyKWVCNUUEDLRNBJ-QFIPXVFZSA-N
XLogP5.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-tert-butyl-7-methyl-N-(3-methylbutan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5097942
2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7327903
2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811830
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641626
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 43073082
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
N-[(1R)-1,2-diphenylethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 52529905
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 7419548) is 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KWVCNUUEDLRNBJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H28N4O/c1-18-21(17-27-24-16-23(26(2,3)4)29-30(18)24)25(31)28-22(20-13-9-6-10-14-20)15-19-11-7-5-8-12-19/h5-14,16-17,22H,15H2,1-4H3,(H,28,31)/t22-/m0/s1.
What are the key properties of 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1S)-1,2-diphenylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 7419548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).