1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

C15H16ClN5 — CID 83203377

IUPAC1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1-c1nn(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H16ClN5/c1-9-14(10(2)20(3)18-9)15-13(17)8-21(19-15)12-6-4-11(16)5-7-12/h4-8H,17H2,1-3H3
InChIKeyAEVZJJJUPJHFOY-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine

1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 83203377) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
PubChem CID83203377
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1-c1nn(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C15H16ClN5/c1-9-14(10(2)20(3)18-9)15-13(17)8-21(19-15)12-6-4-11(16)5-7-12/h4-8H,17H2,1-3H3
InChIKeyAEVZJJJUPJHFOY-UHFFFAOYSA-N
XLogP3.13
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine (CID 83203377) is 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is Cc1nn(C)c(C)c1-c1nn(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is AEVZJJJUPJHFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-9-14(10(2)20(3)18-9)15-13(17)8-21(19-15)12-6-4-11(16)5-7-12/h4-8H,17H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine?
1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 301.78 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 83203377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).