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

C16H21N3 — CID 136838497

IUPAC7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)C(c1ccccc1C)CCN2
InChIInChI=1S/C16H21N3/c1-3-6-13-11-16-17-10-9-15(19(16)18-13)14-8-5-4-7-12(14)2/h4-5,7-8,11,15,17H,3,6,9-10H2,1-2H3
InChIKeyFZYKYYRMGSEMGC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.55
Rot. Bonds3

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

7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838497) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838497
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2n(n1)C(c1ccccc1C)CCN2
InChIInChI=1S/C16H21N3/c1-3-6-13-11-16-17-10-9-15(19(16)18-13)14-8-5-4-7-12(14)2/h4-5,7-8,11,15,17H,3,6,9-10H2,1-2H3
InChIKeyFZYKYYRMGSEMGC-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,5-dimethylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838509
7-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840961
2-(2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)-1,3-thiazole
CID 136838464
2-ethyl-7-naphthalen-1-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838897
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
4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136840782
7-(3,5-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838903
7-(2-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839052
7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838483
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
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 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838497) is 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCCc1cc2n(n1)C(c1ccccc1C)CCN2.
What is the InChIKey of 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FZYKYYRMGSEMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-6-13-11-16-17-10-9-15(19(16)18-13)14-8-5-4-7-12(14)2/h4-5,7-8,11,15,17H,3,6,9-10H2,1-2H3.
What are the key properties of 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 255.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).