5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile

C11H18N4 — CID 107462882

IUPAC5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
SMILESCCc1nn(C)cc1NCCCCC#N
InChIInChI=1S/C11H18N4/c1-3-10-11(9-15(2)14-10)13-8-6-4-5-7-12/h9,13H,3-6,8H2,1-2H3
InChIKeyPBZWMNJINJERMM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.09
Rot. Bonds6

About 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile

5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile (PubChem CID 107462882) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
PubChem CID107462882
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
SMILESCCc1nn(C)cc1NCCCCC#N
InChIInChI=1S/C11H18N4/c1-3-10-11(9-15(2)14-10)13-8-6-4-5-7-12/h9,13H,3-6,8H2,1-2H3
InChIKeyPBZWMNJINJERMM-UHFFFAOYSA-N
XLogP2.09
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.09
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-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
CID 107462469
3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 107462739
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylsulfanylbenzonitrile
CID 107463227
N-butyl-3-ethyl-1-pentylpyrazol-4-amine
CID 56609100
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-ethylsulfanylbenzonitrile
CID 107463239

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile (CID 107462882) is 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile is CCc1nn(C)cc1NCCCCC#N.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile?
The InChIKey is PBZWMNJINJERMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-10-11(9-15(2)14-10)13-8-6-4-5-7-12/h9,13H,3-6,8H2,1-2H3.
What are the key properties of 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile?
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile has a molecular weight of 206.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile is sourced from PubChem (CID 107462882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).