5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile

C13H15N7 — CID 102796280

IUPAC5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
SMILESCc1ccnc(-n2nc(NC3CNC3)c(C#N)c2N)c1
InChIInChI=1S/C13H15N7/c1-8-2-3-17-11(4-8)20-12(15)10(5-14)13(19-20)18-9-6-16-7-9/h2-4,9,16H,6-7,15H2,1H3,(H,18,19)
InChIKeyDUMPZBZKJFMQDL-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.41
Rot. Bonds3

About 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile

5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile (PubChem CID 102796280) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
PubChem CID102796280
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
SMILESCc1ccnc(-n2nc(NC3CNC3)c(C#N)c2N)c1
InChIInChI=1S/C13H15N7/c1-8-2-3-17-11(4-8)20-12(15)10(5-14)13(19-20)18-9-6-16-7-9/h2-4,9,16H,6-7,15H2,1H3,(H,18,19)
InChIKeyDUMPZBZKJFMQDL-UHFFFAOYSA-N
XLogP0.41
TPSA104.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-diamino-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 102826157
5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile
CID 102795399
5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile
CID 102795652
5-amino-3-(cyclobutylamino)-1-(4-fluoro-2-methylphenyl)pyrazole-4-carbonitrile
CID 102796647
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273
2-(azetidin-3-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66185869
5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
CID 102795914
5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 102796539
3-(azetidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515096
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
methyl 5-amino-3-(azetidin-3-ylamino)-1-pyrazin-2-ylpyrazole-4-carboxylate
CID 102809208
2-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-amine
CID 62678485

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile (CID 102796280) is 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile is Cc1ccnc(-n2nc(NC3CNC3)c(C#N)c2N)c1.
What is the InChIKey of 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
The InChIKey is DUMPZBZKJFMQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-8-2-3-17-11(4-8)20-12(15)10(5-14)13(19-20)18-9-6-16-7-9/h2-4,9,16H,6-7,15H2,1H3,(H,18,19).
What are the key properties of 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile?
5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).