2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile

C12H20N4 — CID 106804133

IUPAC2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCn1cc(C)cn1)NC
InChIInChI=1S/C12H20N4/c1-4-12(10-13,14-3)6-5-7-16-9-11(2)8-15-16/h8-9,14H,4-7H2,1-3H3
InChIKeyYGMFROKUPKLMME-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds6

About 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile

2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile (PubChem CID 106804133) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile
PubChem CID106804133
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCn1cc(C)cn1)NC
InChIInChI=1S/C12H20N4/c1-4-12(10-13,14-3)6-5-7-16-9-11(2)8-15-16/h8-9,14H,4-7H2,1-3H3
InChIKeyYGMFROKUPKLMME-UHFFFAOYSA-N
XLogP1.86
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine
CID 46318291
N-(1-cyanocyclopentyl)-2-{[2-(4-methyl-1H-pyrazol-1-yl)ethyl]amino}acetamide
CID 72142102
[(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
CID 28063596
N-[(1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 42281902
n-((1-Methyl-1h-pyrazol-4-yl)methyl)heptan-4-amine
CID 61349817
5,5,5-Trifluoro-2-isocyano-2-[(4-methylpyrazol-1-yl)methyl]pentanenitrile
CID 57712384
[(4-methyl-1H-pyrazole-1-yl)](3,3,3-trifluoropropyl) malononitrile
CID 86612653
1-[(4-Fluoropiperidin-4-yl)methyl]pyrazole-4-carbonitrile
CID 163385588
N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-2-amine
CID 64174383
N-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-2-amine
CID 64176487
2-Amino-2-methyl-4-[4-(trifluoromethyl)pyrazol-1-yl]butanenitrile
CID 64176762
5-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]hexan-2-amine
CID 64176795

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile (CID 106804133) is 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile is CCC(C#N)(CCCn1cc(C)cn1)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile?
The InChIKey is YGMFROKUPKLMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-12(10-13,14-3)6-5-7-16-9-11(2)8-15-16/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile?
2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile has a molecular weight of 220.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(4-methylpyrazol-1-yl)pentanenitrile is sourced from PubChem (CID 106804133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).