2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile

C9H14N4 — CID 82881594

IUPAC2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
SMILESCC(C#N)CNCc1ccn(C)n1
InChIInChI=1S/C9H14N4/c1-8(5-10)6-11-7-9-3-4-13(2)12-9/h3-4,8,11H,6-7H2,1-2H3
InChIKeyHINRBYHSLVROMZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.67
Rot. Bonds4

About 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile

2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile (PubChem CID 82881594) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
PubChem CID82881594
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
SMILESCC(C#N)CNCc1ccn(C)n1
InChIInChI=1S/C9H14N4/c1-8(5-10)6-11-7-9-3-4-13(2)12-9/h3-4,8,11H,6-7H2,1-2H3
InChIKeyHINRBYHSLVROMZ-UHFFFAOYSA-N
XLogP0.67
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 78957770
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-2-phenylethanamine
CID 82871683
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
CID 62321970
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
benzyl 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanoate
CID 106484113
2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
CID 62763078
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile (CID 82881594) is 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile is CC(C#N)CNCc1ccn(C)n1.
What is the InChIKey of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile?
The InChIKey is HINRBYHSLVROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-8(5-10)6-11-7-9-3-4-13(2)12-9/h3-4,8,11H,6-7H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile?
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile has a molecular weight of 178.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile is sourced from PubChem (CID 82881594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).