5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile

C10H15N5O — CID 10560939

IUPAC5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCN2CCOCC2)c1N
InChIInChI=1S/C10H15N5O/c11-7-9-8-13-15(10(9)12)2-1-14-3-5-16-6-4-14/h8H,1-6,12H2
InChIKeyLHGGKEHEHFRINW-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.33
Rot. Bonds3

About 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile

5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile (PubChem CID 10560939) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile
PubChem CID10560939
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCN2CCOCC2)c1N
InChIInChI=1S/C10H15N5O/c11-7-9-8-13-15(10(9)12)2-1-14-3-5-16-6-4-14/h8H,1-6,12H2
InChIKeyLHGGKEHEHFRINW-UHFFFAOYSA-N
XLogP-0.33
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.33
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-morpholin-4-ylethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile (CID 10560939) is 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile is N#Cc1cnn(CCN2CCOCC2)c1N.
What is the InChIKey of 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile?
The InChIKey is LHGGKEHEHFRINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-7-9-8-13-15(10(9)12)2-1-14-3-5-16-6-4-14/h8H,1-6,12H2.
What are the key properties of 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile?
5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-morpholin-4-ylethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 10560939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).