7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C18H25N3 — CID 136841201

IUPAC7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25N3/c1-5-13-12-20-21-16(10-11-19-17(13)21)14-6-8-15(9-7-14)18(2,3)4/h6-9,12,16,19H,5,10-11H2,1-4H3
InChIKeyATKZLMSGRZNWKI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.15
Rot. Bonds2

About 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841201) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841201
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25N3/c1-5-13-12-20-21-16(10-11-19-17(13)21)14-6-8-15(9-7-14)18(2,3)4/h6-9,12,16,19H,5,10-11H2,1-4H3
InChIKeyATKZLMSGRZNWKI-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841201) is 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NCCC2c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is ATKZLMSGRZNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-13-12-20-21-16(10-11-19-17(13)21)14-6-8-15(9-7-14)18(2,3)4/h6-9,12,16,19H,5,10-11H2,1-4H3.
What are the key properties of 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 283.42 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).