4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile

C14H24N4 — CID 115653083

IUPAC4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
SMILESCc1nn(C)c(C)c1CNCC(C)(C)CCC#N
InChIInChI=1S/C14H24N4/c1-11-13(12(2)18(5)17-11)9-16-10-14(3,4)7-6-8-15/h16H,6-7,9-10H2,1-5H3
InChIKeyGWJOBIYNNCNTHM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.46
Rot. Bonds6

About 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile

4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile (PubChem CID 115653083) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
PubChem CID115653083
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile
SMILESCc1nn(C)c(C)c1CNCC(C)(C)CCC#N
InChIInChI=1S/C14H24N4/c1-11-13(12(2)18(5)17-11)9-16-10-14(3,4)7-6-8-15/h16H,6-7,9-10H2,1-5H3
InChIKeyGWJOBIYNNCNTHM-UHFFFAOYSA-N
XLogP2.46
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,4-dimethylpentanenitrile
CID 113240748
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile
CID 106709427
4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 103884381
5-[(1,5-dimethylpyrazol-3-yl)amino]-4,4-dimethylpentanenitrile
CID 115751673
2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449402
2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 113436555
5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentanenitrile
CID 103698578
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 60776965
4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
CID 115652749
4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile
CID 115698081

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile (CID 115653083) is 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile is Cc1nn(C)c(C)c1CNCC(C)(C)CCC#N.
What is the InChIKey of 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile?
The InChIKey is GWJOBIYNNCNTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-13(12(2)18(5)17-11)9-16-10-14(3,4)7-6-8-15/h16H,6-7,9-10H2,1-5H3.
What are the key properties of 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile?
4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile has a molecular weight of 248.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanenitrile is sourced from PubChem (CID 115653083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).