5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile

C13H23N5 — CID 113285589

IUPAC5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(C)CCC(N)C(C)C)c1C#N
InChIInChI=1S/C13H23N5/c1-9(2)12(15)6-7-17(4)13-11(8-14)10(3)16-18(13)5/h9,12H,6-7,15H2,1-5H3
InChIKeyBHNCFRCVCYJCNA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.41
Rot. Bonds5

About 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile

5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 113285589) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID113285589
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N(C)CCC(N)C(C)C)c1C#N
InChIInChI=1S/C13H23N5/c1-9(2)12(15)6-7-17(4)13-11(8-14)10(3)16-18(13)5/h9,12H,6-7,15H2,1-5H3
InChIKeyBHNCFRCVCYJCNA-UHFFFAOYSA-N
XLogP1.41
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 113285589) is 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N(C)CCC(N)C(C)C)c1C#N.
What is the InChIKey of 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is BHNCFRCVCYJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9(2)12(15)6-7-17(4)13-11(8-14)10(3)16-18(13)5/h9,12H,6-7,15H2,1-5H3.
What are the key properties of 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 249.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 113285589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).