5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile

C14H23N5 — CID 107164074

IUPAC5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCC2(C)CCN(C)CC2)c1C#N
InChIInChI=1S/C14H23N5/c1-11-12(9-15)13(19(4)17-11)16-10-14(2)5-7-18(3)8-6-14/h16H,5-8,10H2,1-4H3
InChIKeyUOPZJMGERFGBLE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.74
Rot. Bonds3

About 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile

5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 107164074) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID107164074
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCC2(C)CCN(C)CC2)c1C#N
InChIInChI=1S/C14H23N5/c1-11-12(9-15)13(19(4)17-11)16-10-14(2)5-7-18(3)8-6-14/h16H,5-8,10H2,1-4H3
InChIKeyUOPZJMGERFGBLE-UHFFFAOYSA-N
XLogP1.74
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 63756788
1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441125
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)methylamino]pyrazole-4-carbonitrile
CID 63757336
5-[(3-hydroxy-2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 65036129
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321
5-(4-hydroxybutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 106842244
3-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrazine-2-carbonitrile
CID 113362481
1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile
CID 63758024
1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
CID 103724978

Frequently Asked Questions

What is the IUPAC name of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile (CID 107164074) is 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NCC2(C)CCN(C)CC2)c1C#N.
What is the InChIKey of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is UOPZJMGERFGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11-12(9-15)13(19(4)17-11)16-10-14(2)5-7-18(3)8-6-14/h16H,5-8,10H2,1-4H3.
What are the key properties of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 107164074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).