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

C10H17N5 — CID 102795655

IUPAC5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
SMILESCCNc1nn(C(C)(C)C)c(N)c1C#N
InChIInChI=1S/C10H17N5/c1-5-13-9-7(6-11)8(12)15(14-9)10(2,3)4/h5,12H2,1-4H3,(H,13,14)
InChIKeyJTKSPOIZSJLSON-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds2

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

5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile (PubChem CID 102795655) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
PubChem CID102795655
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
SMILESCCNc1nn(C(C)(C)C)c(N)c1C#N
InChIInChI=1S/C10H17N5/c1-5-13-9-7(6-11)8(12)15(14-9)10(2,3)4/h5,12H2,1-4H3,(H,13,14)
InChIKeyJTKSPOIZSJLSON-UHFFFAOYSA-N
XLogP1.52
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile (CID 102795655) is 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile is CCNc1nn(C(C)(C)C)c(N)c1C#N.
What is the InChIKey of 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile?
The InChIKey is JTKSPOIZSJLSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-5-13-9-7(6-11)8(12)15(14-9)10(2,3)4/h5,12H2,1-4H3,(H,13,14).
What are the key properties of 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile?
5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).