5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile

C8H9N5 — CID 83856530

IUPAC5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile
SMILESCC(C#N)c1nn(C)c(N)c1C#N
InChIInChI=1S/C8H9N5/c1-5(3-9)7-6(4-10)8(11)13(2)12-7/h5H,11H2,1-2H3
InChIKeyHLHMIBIIPXDILW-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.50
Rot. Bonds1

About 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile

5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile (PubChem CID 83856530) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile
PubChem CID83856530
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile
SMILESCC(C#N)c1nn(C)c(N)c1C#N
InChIInChI=1S/C8H9N5/c1-5(3-9)7-6(4-10)8(11)13(2)12-7/h5H,11H2,1-2H3
InChIKeyHLHMIBIIPXDILW-UHFFFAOYSA-N
XLogP0.50
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-cyano-1-methylpyrazole-3-carboxylic acid
CID 82589854
5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile
CID 102795442
5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carbonitrile
CID 63789487
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774
2-(5-amino-4-cyano-1-methylpyrazol-3-yl)acetic acid
CID 83856514
1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine
CID 83530248
3-amino-1-methylpyrazole-4,5-dicarbonitrile
CID 5231924
5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310036
5-amino-3-(1,4-diazepan-1-yl)-1-methylpyrazole-4-carbonitrile
CID 102795417
1,3-dimethyl-5-propan-2-ylpyrazole-4-carbonitrile
CID 58898002
5-amino-1-tert-butylpyrazole-3,4-dicarbonitrile
CID 15389840
5-amino-1-methyl-3-piperidin-2-ylpyrazole-4-carbonitrile
CID 83856508

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile (CID 83856530) is 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile is CC(C#N)c1nn(C)c(N)c1C#N.
What is the InChIKey of 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is HLHMIBIIPXDILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-5(3-9)7-6(4-10)8(11)13(2)12-7/h5H,11H2,1-2H3.
What are the key properties of 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile?
5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1-cyanoethyl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 83856530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).