3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile

C12H20N4 — CID 60691101

IUPAC3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1cnn(C)c1
InChIInChI=1S/C12H20N4/c1-11(2)8-16(6-4-5-13)10-12-7-14-15(3)9-12/h7,9,11H,4,6,8,10H2,1-3H3
InChIKeyWGFYTFAAFDKBTD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.79
Rot. Bonds6

About 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile

3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile (PubChem CID 60691101) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
PubChem CID60691101
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1cnn(C)c1
InChIInChI=1S/C12H20N4/c1-11(2)8-16(6-4-5-13)10-12-7-14-15(3)9-12/h7,9,11H,4,6,8,10H2,1-3H3
InChIKeyWGFYTFAAFDKBTD-UHFFFAOYSA-N
XLogP1.79
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77096435
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617
3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 54940299
N-(2-cyanoethyl)-N-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanamide
CID 61438320
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 107485701
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 46988045
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234
3-[(1-butan-2-ylpyrazol-3-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 64800723
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
ethane;4-ethyl-1-methylpyrazole
CID 143829284
N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide
CID 103002963

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile (CID 60691101) is 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile is CC(C)CN(CCC#N)Cc1cnn(C)c1.
What is the InChIKey of 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile?
The InChIKey is WGFYTFAAFDKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-11(2)8-16(6-4-5-13)10-12-7-14-15(3)9-12/h7,9,11H,4,6,8,10H2,1-3H3.
What are the key properties of 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile?
3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile has a molecular weight of 220.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 60691101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).