7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C17H23N3 — CID 136838509

IUPAC7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)C(c1cc(C)cc(C)c1)CCN2
InChIInChI=1S/C17H23N3/c1-4-5-15-11-17-18-7-6-16(20(17)19-15)14-9-12(2)8-13(3)10-14/h8-11,16,18H,4-7H2,1-3H3
InChIKeyGAYXQYMRNFGORK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.86
Rot. Bonds3

About 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838509) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838509
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)C(c1cc(C)cc(C)c1)CCN2
InChIInChI=1S/C17H23N3/c1-4-5-15-11-17-18-7-6-16(20(17)19-15)14-9-12(2)8-13(3)10-14/h8-11,16,18H,4-7H2,1-3H3
InChIKeyGAYXQYMRNFGORK-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838903
7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838497
2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136838464
2-(2,2-dimethylpropyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841052
5-(2-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-2-methylaniline
CID 136838415
2-ethyl-7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012029
2-(3-methylbutyl)-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838613
2-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709256
7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838321
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838483
3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 136838919

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838509) is 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCc1cc2n(n1)C(c1cc(C)cc(C)c1)CCN2.
What is the InChIKey of 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GAYXQYMRNFGORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-5-15-11-17-18-7-6-16(20(17)19-15)14-9-12(2)8-13(3)10-14/h8-11,16,18H,4-7H2,1-3H3.
What are the key properties of 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 269.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).