5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile

C13H13ClN4O — CID 16781544

IUPAC5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile
SMILESCC(C)Oc1nn(-c2ccc(Cl)cc2)c(N)c1C#N
InChIInChI=1S/C13H13ClN4O/c1-8(2)19-13-11(7-15)12(16)18(17-13)10-5-3-9(14)4-6-10/h3-6,8H,16H2,1-2H3
InChIKeyVOUSOJBTNDBFRU-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.77
Rot. Bonds3

About 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile

5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile (PubChem CID 16781544) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile
PubChem CID16781544
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile
SMILESCC(C)Oc1nn(-c2ccc(Cl)cc2)c(N)c1C#N
InChIInChI=1S/C13H13ClN4O/c1-8(2)19-13-11(7-15)12(16)18(17-13)10-5-3-9(14)4-6-10/h3-6,8H,16H2,1-2H3
InChIKeyVOUSOJBTNDBFRU-UHFFFAOYSA-N
XLogP2.77
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile (CID 16781544) is 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile is CC(C)Oc1nn(-c2ccc(Cl)cc2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile?
The InChIKey is VOUSOJBTNDBFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8(2)19-13-11(7-15)12(16)18(17-13)10-5-3-9(14)4-6-10/h3-6,8H,16H2,1-2H3.
What are the key properties of 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile?
5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile has a molecular weight of 276.73 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chlorophenyl)-3-propan-2-yloxypyrazole-4-carbonitrile is sourced from PubChem (CID 16781544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).