5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine

C12H16ClN3 — CID 22309031

IUPAC5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)cc(C(C)(C)C)nc12
InChIInChI=1S/C12H16ClN3/c1-5-8-7-14-16-10(13)6-9(12(2,3)4)15-11(8)16/h6-7H,5H2,1-4H3
InChIKeyJZJIDRFAGLMMRH-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.24
Rot. Bonds1

About 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine

5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine (PubChem CID 22309031) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
PubChem CID22309031
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)cc(C(C)(C)C)nc12
InChIInChI=1S/C12H16ClN3/c1-5-8-7-14-16-10(13)6-9(12(2,3)4)15-11(8)16/h6-7H,5H2,1-4H3
InChIKeyJZJIDRFAGLMMRH-UHFFFAOYSA-N
XLogP3.24
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-ethyl-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274393
7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 22309024
7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 104621729
7-chloro-3,6-diethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 104621763
3,7-dichloro-5-(2-cyclopropylpropan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 170418247
3-ethyl-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 145164018
3-bromo-7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 21066435
3-benzyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274288
7-chloro-5-ethyl-3-methoxypyrazolo[1,5-a]pyrimidine
CID 10822397
(7-chloro-5-ethylpyrazolo[1,5-a]pyrimidin-3-yl)boronic acid
CID 167732764
7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89365677
6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine
CID 119053925

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine (CID 22309031) is 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine is CCc1cnn2c(Cl)cc(C(C)(C)C)nc12.
What is the InChIKey of 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JZJIDRFAGLMMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-5-8-7-14-16-10(13)6-9(12(2,3)4)15-11(8)16/h6-7H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine?
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 237.73 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22309031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).