5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine

C12H15ClN4 — CID 23298691

IUPAC5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine
SMILESCCCn1nc(N)c(N)c1-c1ccccc1Cl
InChIInChI=1S/C12H15ClN4/c1-2-7-17-11(10(14)12(15)16-17)8-5-3-4-6-9(8)13/h3-6H,2,7,14H2,1H3,(H2,15,16)
InChIKeyARUFSSMNYOBCMC-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.78
Rot. Bonds3

About 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine

5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine (PubChem CID 23298691) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine
PubChem CID23298691
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine
SMILESCCCn1nc(N)c(N)c1-c1ccccc1Cl
InChIInChI=1S/C12H15ClN4/c1-2-7-17-11(10(14)12(15)16-17)8-5-3-4-6-9(8)13/h3-6H,2,7,14H2,1H3,(H2,15,16)
InChIKeyARUFSSMNYOBCMC-UHFFFAOYSA-N
XLogP2.78
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine?
The IUPAC name of 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine (CID 23298691) is 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine.
What is the SMILES notation for 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine?
The canonical SMILES for 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine is CCCn1nc(N)c(N)c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine?
The InChIKey is ARUFSSMNYOBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-7-17-11(10(14)12(15)16-17)8-5-3-4-6-9(8)13/h3-6H,2,7,14H2,1H3,(H2,15,16).
What are the key properties of 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine?
5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine has a molecular weight of 250.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-propylpyrazole-3,4-diamine is sourced from PubChem (CID 23298691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).