1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride

C6H9ClN4 — CID 146048593

IUPAC1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1cnn(CCN)c1
InChIInChI=1S/C6H8N4.ClH/c7-1-2-10-5-6(3-8)4-9-10;/h4-5H,1-2,7H2;1H
InChIKeyHGORXEXRVHVANX-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.14
Rot. Bonds2

About 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride

1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride (PubChem CID 146048593) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride
PubChem CID146048593
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1cnn(CCN)c1
InChIInChI=1S/C6H8N4.ClH/c7-1-2-10-5-6(3-8)4-9-10;/h4-5H,1-2,7H2;1H
InChIKeyHGORXEXRVHVANX-UHFFFAOYSA-N
XLogP0.14
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride (CID 146048593) is 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride is Cl.N#Cc1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride?
The InChIKey is HGORXEXRVHVANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4.ClH/c7-1-2-10-5-6(3-8)4-9-10;/h4-5H,1-2,7H2;1H.
What are the key properties of 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride?
1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride has a molecular weight of 172.62 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride is sourced from PubChem (CID 146048593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).