5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile

C14H24N6 — CID 102796348

IUPAC5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile
SMILESCC1CCN(c2nn(CCN(C)C)c(N)c2C#N)CC1
InChIInChI=1S/C14H24N6/c1-11-4-6-19(7-5-11)14-12(10-15)13(16)20(17-14)9-8-18(2)3/h11H,4-9,16H2,1-3H3
InChIKeyQNZHXKIDGZVFNU-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.13
Rot. Bonds4

About 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile

5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile (PubChem CID 102796348) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile
PubChem CID102796348
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile
SMILESCC1CCN(c2nn(CCN(C)C)c(N)c2C#N)CC1
InChIInChI=1S/C14H24N6/c1-11-4-6-19(7-5-11)14-12(10-15)13(16)20(17-14)9-8-18(2)3/h11H,4-9,16H2,1-3H3
InChIKeyQNZHXKIDGZVFNU-UHFFFAOYSA-N
XLogP1.13
TPSA74.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile (CID 102796348) is 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile is CC1CCN(c2nn(CCN(C)C)c(N)c2C#N)CC1.
What is the InChIKey of 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile?
The InChIKey is QNZHXKIDGZVFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-11-4-6-19(7-5-11)14-12(10-15)13(16)20(17-14)9-8-18(2)3/h11H,4-9,16H2,1-3H3.
What are the key properties of 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile?
5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile has a molecular weight of 276.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).