4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile

C12H20N4O — CID 114274309

IUPAC4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCOc1cnn(C(C)CC(C)(C#N)NC)c1
InChIInChI=1S/C12H20N4O/c1-5-17-11-7-15-16(8-11)10(2)6-12(3,9-13)14-4/h7-8,10,14H,5-6H2,1-4H3
InChIKeyZBUOCRRZCSSVRJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.73
Rot. Bonds6

About 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile

4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 114274309) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID114274309
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCOc1cnn(C(C)CC(C)(C#N)NC)c1
InChIInChI=1S/C12H20N4O/c1-5-17-11-7-15-16(8-11)10(2)6-12(3,9-13)14-4/h7-8,10,14H,5-6H2,1-4H3
InChIKeyZBUOCRRZCSSVRJ-UHFFFAOYSA-N
XLogP1.73
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-4-(4-iodopyrazol-1-yl)-2-methylpentanenitrile
CID 64725360
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile
CID 64726150
3-(4-ethoxypyrazol-1-yl)-2-(methylamino)butanamide
CID 165490241
2-(4-ethoxypyrazol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 114274283
2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile
CID 64725352
3-(4-ethoxypyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165495586
1-tert-butyl-4-ethoxypyrazole;ethane
CID 162757233
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 107667823
4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 64728208
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 64710362
2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
CID 64727115

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile (CID 114274309) is 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile is CCOc1cnn(C(C)CC(C)(C#N)NC)c1.
What is the InChIKey of 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is ZBUOCRRZCSSVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-5-17-11-7-15-16(8-11)10(2)6-12(3,9-13)14-4/h7-8,10,14H,5-6H2,1-4H3.
What are the key properties of 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 236.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypyrazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 114274309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).