2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile

C13H20N4 — CID 64726150

IUPAC2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile
SMILESCc1cnn(C(C)CC(C)(C#N)NC2CC2)c1
InChIInChI=1S/C13H20N4/c1-10-7-15-17(8-10)11(2)6-13(3,9-14)16-12-4-5-12/h7-8,11-12,16H,4-6H2,1-3H3
InChIKeyZNNGOAMEYJQMID-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.18
Rot. Bonds5

About 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile

2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile (PubChem CID 64726150) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile
PubChem CID64726150
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile
SMILESCc1cnn(C(C)CC(C)(C#N)NC2CC2)c1
InChIInChI=1S/C13H20N4/c1-10-7-15-17(8-10)11(2)6-13(3,9-14)16-12-4-5-12/h7-8,11-12,16H,4-6H2,1-3H3
InChIKeyZNNGOAMEYJQMID-UHFFFAOYSA-N
XLogP2.18
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-2-methyl-4-(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

2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
CID 64727747
2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile
CID 64727539
4-(4-tert-butylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64726696
4-(4-bromopyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64705445
(3R)-3-(4-methylpyrazol-1-yl)butanenitrile
CID 42573807
2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile
CID 64725360
4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 114274309
ethyl 4-(4-chloropyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64705271
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208
(2S)-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 42576130
2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile
CID 64709200
2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanenitrile
CID 106924810

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile (CID 64726150) is 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile is Cc1cnn(C(C)CC(C)(C#N)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile?
The InChIKey is ZNNGOAMEYJQMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10-7-15-17(8-10)11(2)6-13(3,9-14)16-12-4-5-12/h7-8,11-12,16H,4-6H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile?
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile is sourced from PubChem (CID 64726150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).