3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate

C24H27N5O2 — CID 86890540

IUPAC3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)OCCCc1cnc2c(C)c(C)nn2c1
InChIInChI=1S/C24H27N5O2/c1-16-17(2)26-29-15-21(13-25-23(16)29)11-8-12-31-24(30)22-18(3)27-28(19(22)4)14-20-9-6-5-7-10-20/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3
InChIKeyQGEBGVHAQRUKHD-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.00
Rot. Bonds7

About 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate

3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 86890540) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
PubChem CID86890540
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)OCCCc1cnc2c(C)c(C)nn2c1
InChIInChI=1S/C24H27N5O2/c1-16-17(2)26-29-15-21(13-25-23(16)29)11-8-12-31-24(30)22-18(3)27-28(19(22)4)14-20-9-6-5-7-10-20/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3
InChIKeyQGEBGVHAQRUKHD-UHFFFAOYSA-N
XLogP4.00
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 3-(4-methylphenyl)sulfanylpropanoate
CID 86881288
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 2-(4-chlorophenoxy)propanoate
CID 86890537
3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 16543511
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 16570109
[2-(4-ethylphenyl)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 5152944
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7690818
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2636488
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2616880
2-(1-benzyl-4-ethoxycarbonyl-3-methylpyrazol-5-yl)oxyethyl-trimethylazanium iodide
CID 29630
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2616863
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2482267

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate (CID 86890540) is 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate is Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCCCc1cnc2c(C)c(C)nn2c1.
What is the InChIKey of 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is QGEBGVHAQRUKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-17(2)26-29-15-21(13-25-23(16)29)11-8-12-31-24(30)22-18(3)27-28(19(22)4)14-20-9-6-5-7-10-20/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3.
What are the key properties of 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate?
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 86890540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).