5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile

C14H9ClN6O2 — CID 46865790

IUPAC5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)c1N
InChIInChI=1S/C14H9ClN6O2/c15-9-1-3-10(4-2-9)20-7-11(22)12(19-20)14(23)21-13(17)8(5-16)6-18-21/h1-4,6-7,22H,17H2
InChIKeyQSXIDUKAGCAOKB-UHFFFAOYSA-N
MW328.72 g/mol
LogP1.57
Rot. Bonds2

About 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile

5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile (PubChem CID 46865790) has the molecular formula C14H9ClN6O2 and a molecular weight of 328.72 g/mol. Its IUPAC name is 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile
PubChem CID46865790
Molecular FormulaC14H9ClN6O2
Molecular Weight328.72 g/mol
Exact Mass328.05
IUPAC Name5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)c1N
InChIInChI=1S/C14H9ClN6O2/c15-9-1-3-10(4-2-9)20-7-11(22)12(19-20)14(23)21-13(17)8(5-16)6-18-21/h1-4,6-7,22H,17H2
InChIKeyQSXIDUKAGCAOKB-UHFFFAOYSA-N
XLogP1.57
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile (CID 46865790) is 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)c1N.
What is the InChIKey of 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile?
The InChIKey is QSXIDUKAGCAOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6O2/c15-9-1-3-10(4-2-9)20-7-11(22)12(19-20)14(23)21-13(17)8(5-16)6-18-21/h1-4,6-7,22H,17H2.
What are the key properties of 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile?
5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile has a molecular weight of 328.72 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 46865790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).