6-(3-aminopyrazol-1-yl)hexanenitrile

C9H14N4 — CID 165482072

IUPAC6-(3-aminopyrazol-1-yl)hexanenitrile
SMILESN#CCCCCCn1ccc(N)n1
InChIInChI=1S/C9H14N4/c10-6-3-1-2-4-7-13-8-5-9(11)12-13/h5,8H,1-4,7H2,(H2,11,12)
InChIKeyOGFAPBOUECLNTG-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.55
Rot. Bonds5

About 6-(3-aminopyrazol-1-yl)hexanenitrile

6-(3-aminopyrazol-1-yl)hexanenitrile (PubChem CID 165482072) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-(3-aminopyrazol-1-yl)hexanenitrile.

Molecular Properties

Compound Name6-(3-aminopyrazol-1-yl)hexanenitrile
PubChem CID165482072
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name6-(3-aminopyrazol-1-yl)hexanenitrile
SMILESN#CCCCCCn1ccc(N)n1
InChIInChI=1S/C9H14N4/c10-6-3-1-2-4-7-13-8-5-9(11)12-13/h5,8H,1-4,7H2,(H2,11,12)
InChIKeyOGFAPBOUECLNTG-UHFFFAOYSA-N
XLogP1.55
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
6-(3-amino-4-bromopyrazol-1-yl)hexanenitrile
CID 165473338
3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
CID 63310595
3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile
CID 63310593
1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine
CID 175527652
1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
1-[2-(3-aminopyrazol-1-yl)ethyl]pyrrole-2-carbonitrile
CID 114650287
1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093119
4-amino-1-(4-cyanobutyl)pyrazole-3-carboxylic acid
CID 107344322
3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
CID 90482953
1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine
CID 66928481
1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one
CID 63310672

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopyrazol-1-yl)hexanenitrile?
The IUPAC name of 6-(3-aminopyrazol-1-yl)hexanenitrile (CID 165482072) is 6-(3-aminopyrazol-1-yl)hexanenitrile.
What is the SMILES notation for 6-(3-aminopyrazol-1-yl)hexanenitrile?
The canonical SMILES for 6-(3-aminopyrazol-1-yl)hexanenitrile is N#CCCCCCn1ccc(N)n1.
What is the InChIKey of 6-(3-aminopyrazol-1-yl)hexanenitrile?
The InChIKey is OGFAPBOUECLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-6-3-1-2-4-7-13-8-5-9(11)12-13/h5,8H,1-4,7H2,(H2,11,12).
What are the key properties of 6-(3-aminopyrazol-1-yl)hexanenitrile?
6-(3-aminopyrazol-1-yl)hexanenitrile has a molecular weight of 178.24 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopyrazol-1-yl)hexanenitrile is sourced from PubChem (CID 165482072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).