5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine

C11H13ClN4 — CID 83868863

IUPAC5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
SMILESNCCc1cc(N)nn1-c1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c12-9-3-1-2-4-10(9)16-8(5-6-13)7-11(14)15-16/h1-4,7H,5-6,13H2,(H2,14,15)
InChIKeyBBGDAFJIFYVHPS-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.61
Rot. Bonds3

About 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine

5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine (PubChem CID 83868863) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
PubChem CID83868863
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine
SMILESNCCc1cc(N)nn1-c1ccccc1Cl
InChIInChI=1S/C11H13ClN4/c12-9-3-1-2-4-10(9)16-8(5-6-13)7-11(14)15-16/h1-4,7H,5-6,13H2,(H2,14,15)
InChIKeyBBGDAFJIFYVHPS-UHFFFAOYSA-N
XLogP1.61
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-1-(4-chlorophenyl)pyrazol-3-amine
CID 83868883
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
CID 83864052
5-(2-aminoethyl)-3-(2-chlorophenyl)-1,3,4-oxadiazol-2-one
CID 83824728
5-(2-aminoethyl)-1-methylpyrazol-3-amine
CID 83864147
2-[1-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 82472942
5-amino-1-(2-chlorophenyl)-N,N-diethylpyrazole-3-carboxamide
CID 82188855
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
CID 117123617
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675
3-chloro-1-(2-chlorophenyl)-5-methylpyrazole
CID 59022592
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863937
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine?
The IUPAC name of 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine (CID 83868863) is 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine.
What is the SMILES notation for 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine?
The canonical SMILES for 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine is NCCc1cc(N)nn1-c1ccccc1Cl.
What is the InChIKey of 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine?
The InChIKey is BBGDAFJIFYVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-9-3-1-2-4-10(9)16-8(5-6-13)7-11(14)15-16/h1-4,7H,5-6,13H2,(H2,14,15).
What are the key properties of 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine?
5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine has a molecular weight of 236.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(2-chlorophenyl)pyrazol-3-amine is sourced from PubChem (CID 83868863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).