1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine

C16H17ClN4 — CID 68788394

IUPAC1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine
SMILESCC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)cncc21
InChIInChI=1S/C16H17ClN4/c1-16(2,3)21-13-9-19-8-12(18)14(13)15(20-21)10-4-6-11(17)7-5-10/h4-9H,18H2,1-3H3
InChIKeyLLMOLJSMSNWQRN-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.09
Rot. Bonds1

About 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine

1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine (PubChem CID 68788394) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine
PubChem CID68788394
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine
SMILESCC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)cncc21
InChIInChI=1S/C16H17ClN4/c1-16(2,3)21-13-9-19-8-12(18)14(13)15(20-21)10-4-6-11(17)7-5-10/h4-9H,18H2,1-3H3
InChIKeyLLMOLJSMSNWQRN-UHFFFAOYSA-N
XLogP4.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine?
The IUPAC name of 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine (CID 68788394) is 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine is CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)cncc21.
What is the InChIKey of 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine?
The InChIKey is LLMOLJSMSNWQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-16(2,3)21-13-9-19-8-12(18)14(13)15(20-21)10-4-6-11(17)7-5-10/h4-9H,18H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine?
1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine has a molecular weight of 300.79 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 68788394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).