5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C17H20N4 — CID 163924380

IUPAC5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(Nc3ccccc3)cc(C(C)(C)C)nc12
InChIInChI=1S/C17H20N4/c1-12-11-18-21-15(19-13-8-6-5-7-9-13)10-14(17(2,3)4)20-16(12)21/h5-11,19H,1-4H3
InChIKeyRDESZILOHWLVLA-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.08
Rot. Bonds2

About 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 163924380) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID163924380
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(Nc3ccccc3)cc(C(C)(C)C)nc12
InChIInChI=1S/C17H20N4/c1-12-11-18-21-15(19-13-8-6-5-7-9-13)10-14(17(2,3)4)20-16(12)21/h5-11,19H,1-4H3
InChIKeyRDESZILOHWLVLA-UHFFFAOYSA-N
XLogP4.08
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-(3,4-dichlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2036160
5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104708911
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
N-(1,3-dihydroxypropan-2-yl)-4-[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 71192990
N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4304394
N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3333332
6-[[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 70878976
N-[(6-amino-3-pyridinyl)methyl]-3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143441491
4-[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]but-1-en-2-ol
CID 89234647
3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
CID 102581187
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
5-tert-butyl-N-(4-butylphenyl)-3-(2-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893673

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 163924380) is 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(Nc3ccccc3)cc(C(C)(C)C)nc12.
What is the InChIKey of 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RDESZILOHWLVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12-11-18-21-15(19-13-8-6-5-7-9-13)10-14(17(2,3)4)20-16(12)21/h5-11,19H,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 280.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 163924380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).