2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C17H23N3 — CID 136838312

IUPAC2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2n(n1)C(c1ccccc1)CCN2
InChIInChI=1S/C17H23N3/c1-3-13(4-2)15-12-17-18-11-10-16(20(17)19-15)14-8-6-5-7-9-14/h5-9,12-13,16,18H,3-4,10-11H2,1-2H3
InChIKeyYFJDRPLDJVUMAH-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.19
Rot. Bonds4

About 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838312) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838312
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2n(n1)C(c1ccccc1)CCN2
InChIInChI=1S/C17H23N3/c1-3-13(4-2)15-12-17-18-11-10-16(20(17)19-15)14-8-6-5-7-9-14/h5-9,12-13,16,18H,3-4,10-11H2,1-2H3
InChIKeyYFJDRPLDJVUMAH-UHFFFAOYSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838321
7-(3-methylthiophen-2-yl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838337
7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839069
3-(2-pentan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)aniline
CID 136838692
2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841086
7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839052
2-ethyl-7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012029
2-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709256
2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline
CID 136838350
3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 136838919
7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838497
2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838613

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838312) is 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCC(CC)c1cc2n(n1)C(c1ccccc1)CCN2.
What is the InChIKey of 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is YFJDRPLDJVUMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-13(4-2)15-12-17-18-11-10-16(20(17)19-15)14-8-6-5-7-9-14/h5-9,12-13,16,18H,3-4,10-11H2,1-2H3.
What are the key properties of 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 269.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).