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

C18H23N3 — CID 136841096

IUPAC2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2CCNc3cc(C4CCCC4)nn32)c1
InChIInChI=1S/C18H23N3/c1-13-5-4-8-15(11-13)17-9-10-19-18-12-16(20-21(17)18)14-6-2-3-7-14/h4-5,8,11-12,14,17,19H,2-3,6-7,9-10H2,1H3
InChIKeyDUEVQGGSJQEPDL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.25
Rot. Bonds2

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

2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841096) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841096
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2CCNc3cc(C4CCCC4)nn32)c1
InChIInChI=1S/C18H23N3/c1-13-5-4-8-15(11-13)17-9-10-19-18-12-16(20-21(17)18)14-6-2-3-7-14/h4-5,8,11-12,14,17,19H,2-3,6-7,9-10H2,1H3
InChIKeyDUEVQGGSJQEPDL-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-7-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841086
2-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709256
2-(2,2-dimethylpropyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841052
7-(3-methylphenyl)-2-pentan-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838321
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841108
2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841114
7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 136840246
7-(3-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136933815
7-tert-butyl-2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841107
N-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 137012196
2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837982
2,7-dicyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841127

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841096) is 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1cccc(C2CCNc3cc(C4CCCC4)nn32)c1.
What is the InChIKey of 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is DUEVQGGSJQEPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-5-4-8-15(11-13)17-9-10-19-18-12-16(20-21(17)18)14-6-2-3-7-14/h4-5,8,11-12,14,17,19H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 281.40 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).