5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C11H15N5 — CID 55241906

IUPAC5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCN(CCC#N)c1c(C#N)c(C)nn1C
InChIInChI=1S/C11H15N5/c1-4-16(7-5-6-12)11-10(8-13)9(2)14-15(11)3/h4-5,7H2,1-3H3
InChIKeyBKNIERHKAFBKSE-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.34
Rot. Bonds4

About 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 55241906) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID55241906
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCN(CCC#N)c1c(C#N)c(C)nn1C
InChIInChI=1S/C11H15N5/c1-4-16(7-5-6-12)11-10(8-13)9(2)14-15(11)3/h4-5,7H2,1-3H3
InChIKeyBKNIERHKAFBKSE-UHFFFAOYSA-N
XLogP1.34
TPSA68.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 55241906) is 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is CCN(CCC#N)c1c(C#N)c(C)nn1C.
What is the InChIKey of 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is BKNIERHKAFBKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-16(7-5-6-12)11-10(8-13)9(2)14-15(11)3/h4-5,7H2,1-3H3.
What are the key properties of 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyanoethyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 55241906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).