5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide

C21H27N5O2 — CID 86342675

IUPAC5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide
SMILESCC(C)COc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C21H27N5O2/c1-12(2)11-28-15-7-6-13-8-14(10-24-16(13)9-15)18-17(20(23)27)19(22)26(25-18)21(3,4)5/h6-10,12H,11,22H2,1-5H3,(H2,23,27)
InChIKeyLKNZTNVERDBXML-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.57
Rot. Bonds5

About 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide

5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide (PubChem CID 86342675) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide
PubChem CID86342675
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide
SMILESCC(C)COc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C21H27N5O2/c1-12(2)11-28-15-7-6-13-8-14(10-24-16(13)9-15)18-17(20(23)27)19(22)26(25-18)21(3,4)5/h6-10,12H,11,22H2,1-5H3,(H2,23,27)
InChIKeyLKNZTNVERDBXML-UHFFFAOYSA-N
XLogP3.57
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide (CID 86342675) is 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide is CC(C)COc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide?
The InChIKey is LKNZTNVERDBXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-12(2)11-28-15-7-6-13-8-14(10-24-16(13)9-15)18-17(20(23)27)19(22)26(25-18)21(3,4)5/h6-10,12H,11,22H2,1-5H3,(H2,23,27).
What are the key properties of 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-[7-(2-methylpropoxy)quinolin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 86342675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).