7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

C18H21N3 — CID 617088

IUPAC7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccccc3)cnn2c(C(C)(C)C)c1C
InChIInChI=1S/C18H21N3/c1-12-13(2)20-17-15(14-9-7-6-8-10-14)11-19-21(17)16(12)18(3,4)5/h6-11H,1-5H3
InChIKeyMEXRVEAXDXGAEC-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.31
Rot. Bonds1

About 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 617088) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID617088
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nc2c(-c3ccccc3)cnn2c(C(C)(C)C)c1C
InChIInChI=1S/C18H21N3/c1-12-13(2)20-17-15(14-9-7-6-8-10-14)11-19-21(17)16(12)18(3,4)5/h6-11H,1-5H3
InChIKeyMEXRVEAXDXGAEC-UHFFFAOYSA-N
XLogP4.31
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 8741392
N-[(2S)-butan-2-yl]-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 34956966
2-[2-[(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol
CID 4870814
7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 105481983
3-(4-fluorophenyl)-5-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1472663
7-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 42640807
5-tert-butyl-N-(3,4-dichlorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2036160
7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine
CID 4904530
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11553059
N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4304394

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 617088) is 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nc2c(-c3ccccc3)cnn2c(C(C)(C)C)c1C.
What is the InChIKey of 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MEXRVEAXDXGAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-13(2)20-17-15(14-9-7-6-8-10-14)11-19-21(17)16(12)18(3,4)5/h6-11H,1-5H3.
What are the key properties of 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 279.39 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 617088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).