5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile

C19H20N4 — CID 5050726

IUPAC5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(Cc2cccc3ccccc23)c(C#N)c1N
InChIInChI=1S/C19H20N4/c1-19(2,3)23-18(21)16(12-20)17(22-23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11,21H2,1-3H3
InChIKeyNOYZXFGYSZASPX-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.84
Rot. Bonds2

About 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile

5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (PubChem CID 5050726) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
PubChem CID5050726
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(Cc2cccc3ccccc23)c(C#N)c1N
InChIInChI=1S/C19H20N4/c1-19(2,3)23-18(21)16(12-20)17(22-23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11,21H2,1-3H3
InChIKeyNOYZXFGYSZASPX-UHFFFAOYSA-N
XLogP3.84
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile (CID 5050726) is 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is CC(C)(C)n1nc(Cc2cccc3ccccc23)c(C#N)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
The InChIKey is NOYZXFGYSZASPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-19(2,3)23-18(21)16(12-20)17(22-23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11,21H2,1-3H3.
What are the key properties of 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile?
5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile has a molecular weight of 304.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 5050726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).