2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine

C13H18ClN3 — CID 104621679

IUPAC2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nc2cc(C(C)(C)C)nn2c(Cl)c1C
InChIInChI=1S/C13H18ClN3/c1-6-9-8(2)12(14)17-11(15-9)7-10(16-17)13(3,4)5/h7H,6H2,1-5H3
InChIKeyWGCZOBWDVLHUTJ-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.55
Rot. Bonds1

About 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine

2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 104621679) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
PubChem CID104621679
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nc2cc(C(C)(C)C)nn2c(Cl)c1C
InChIInChI=1S/C13H18ClN3/c1-6-9-8(2)12(14)17-11(15-9)7-10(16-17)13(3,4)5/h7H,6H2,1-5H3
InChIKeyWGCZOBWDVLHUTJ-UHFFFAOYSA-N
XLogP3.55
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine 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

7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621661
2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 104846648
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818883
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525
5-tert-butyl-8-chloro-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene
CID 106471818
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
5-chloro-1-(2,4-dimethylphenyl)-3-ethyl-4-methylpyrazole
CID 66021998
5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165476285
ethyl 2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methylpropanoate
CID 155896682
2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70201413
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 42877159

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine (CID 104621679) is 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine is CCc1nc2cc(C(C)(C)C)nn2c(Cl)c1C.
What is the InChIKey of 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WGCZOBWDVLHUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-6-9-8(2)12(14)17-11(15-9)7-10(16-17)13(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine?
2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 251.76 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloro-5-ethyl-6-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).