5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile

C8H5ClN6 — CID 56697544

IUPAC5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(Cl)ncn2)c1N
InChIInChI=1S/C8H5ClN6/c9-6-1-7(13-4-12-6)15-8(11)5(2-10)3-14-15/h1,3-4H,11H2
InChIKeySWHPGACRRAOTPM-UHFFFAOYSA-N
MW220.62 g/mol
LogP0.77
Rot. Bonds1

About 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile

5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile (PubChem CID 56697544) has the molecular formula C8H5ClN6 and a molecular weight of 220.62 g/mol. Its IUPAC name is 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile
PubChem CID56697544
Molecular FormulaC8H5ClN6
Molecular Weight220.62 g/mol
Exact Mass220.03
IUPAC Name5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2cc(Cl)ncn2)c1N
InChIInChI=1S/C8H5ClN6/c9-6-1-7(13-4-12-6)15-8(11)5(2-10)3-14-15/h1,3-4H,11H2
InChIKeySWHPGACRRAOTPM-UHFFFAOYSA-N
XLogP0.77
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile (CID 56697544) is 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2cc(Cl)ncn2)c1N.
What is the InChIKey of 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile?
The InChIKey is SWHPGACRRAOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN6/c9-6-1-7(13-4-12-6)15-8(11)5(2-10)3-14-15/h1,3-4H,11H2.
What are the key properties of 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile?
5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile has a molecular weight of 220.62 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 56697544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).