2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C19H33N3 — CID 167480060

IUPAC2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1CCC(C2CCNc3c(C)c(C(C)CC)nn32)CC1
InChIInChI=1S/C19H33N3/c1-5-13(3)18-14(4)19-20-12-11-17(22(19)21-18)16-9-7-15(6-2)8-10-16/h13,15-17,20H,5-12H2,1-4H3
InChIKeyUVBNEIDCKCLBAW-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.28
Rot. Bonds4

About 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 167480060) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID167480060
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC1CCC(C2CCNc3c(C)c(C(C)CC)nn32)CC1
InChIInChI=1S/C19H33N3/c1-5-13(3)18-14(4)19-20-12-11-17(22(19)21-18)16-9-7-15(6-2)8-10-16/h13,15-17,20H,5-12H2,1-4H3
InChIKeyUVBNEIDCKCLBAW-UHFFFAOYSA-N
XLogP5.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 167480060) is 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC1CCC(C2CCNc3c(C)c(C(C)CC)nn32)CC1.
What is the InChIKey of 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is UVBNEIDCKCLBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-5-13(3)18-14(4)19-20-12-11-17(22(19)21-18)16-9-7-15(6-2)8-10-16/h13,15-17,20H,5-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 303.49 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-7-(4-ethylcyclohexyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167480060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).