5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile

C11H18N6 — CID 102795652

IUPAC5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(NC2CNC2)c(C#N)c1N
InChIInChI=1S/C11H18N6/c1-11(2,3)17-9(13)8(4-12)10(16-17)15-7-5-14-6-7/h7,14H,5-6,13H2,1-3H3,(H,15,16)
InChIKeyAFFHAGUGBOKQII-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.48
Rot. Bonds2

About 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile

5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile (PubChem CID 102795652) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile
PubChem CID102795652
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile
SMILESCC(C)(C)n1nc(NC2CNC2)c(C#N)c1N
InChIInChI=1S/C11H18N6/c1-11(2,3)17-9(13)8(4-12)10(16-17)15-7-5-14-6-7/h7,14H,5-6,13H2,1-3H3,(H,15,16)
InChIKeyAFFHAGUGBOKQII-UHFFFAOYSA-N
XLogP0.48
TPSA91.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795655
5-amino-1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102795650
5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 102796280
5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile
CID 102795399
5-amino-1-tert-butylpyrazole-3,4-dicarbonitrile
CID 15389840
5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 102796539
2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66185869
5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795651
5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
CID 102796021
3-(azetidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515096
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796212

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile (CID 102795652) is 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile is CC(C)(C)n1nc(NC2CNC2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile?
The InChIKey is AFFHAGUGBOKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-11(2,3)17-9(13)8(4-12)10(16-17)15-7-5-14-6-7/h7,14H,5-6,13H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile?
5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile has a molecular weight of 234.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile is sourced from PubChem (CID 102795652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).