5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile

C14H16N4 — CID 10610088

IUPAC5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C14H16N4/c1-14(2,3)18-13(16)11(9-15)12(17-18)10-7-5-4-6-8-10/h4-8H,16H2,1-3H3
InChIKeyGKWLZKXCCKYMKG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.76
Rot. Bonds1

About 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile

5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile (PubChem CID 10610088) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile
PubChem CID10610088
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C14H16N4/c1-14(2,3)18-13(16)11(9-15)12(17-18)10-7-5-4-6-8-10/h4-8H,16H2,1-3H3
InChIKeyGKWLZKXCCKYMKG-UHFFFAOYSA-N
XLogP2.76
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.76
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-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile (CID 10610088) is 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile is CC(C)(C)n1nc(-c2ccccc2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile?
The InChIKey is GKWLZKXCCKYMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-14(2,3)18-13(16)11(9-15)12(17-18)10-7-5-4-6-8-10/h4-8H,16H2,1-3H3.
What are the key properties of 5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile?
5-amino-1-tert-butyl-3-phenylpyrazole-4-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.76, 1 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-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 10610088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).