1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine

C13H16ClN3 — CID 43148085

IUPAC1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine
SMILESCCC(c1cccc(Cl)c1)n1ncc(C)c1N
InChIInChI=1S/C13H16ClN3/c1-3-12(10-5-4-6-11(14)7-10)17-13(15)9(2)8-16-17/h4-8,12H,3,15H2,1-2H3
InChIKeySYSMTVDZJFNDCK-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.43
Rot. Bonds3

About 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine

1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine (PubChem CID 43148085) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine
PubChem CID43148085
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine
SMILESCCC(c1cccc(Cl)c1)n1ncc(C)c1N
InChIInChI=1S/C13H16ClN3/c1-3-12(10-5-4-6-11(14)7-10)17-13(15)9(2)8-16-17/h4-8,12H,3,15H2,1-2H3
InChIKeySYSMTVDZJFNDCK-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine (CID 43148085) is 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine is CCC(c1cccc(Cl)c1)n1ncc(C)c1N.
What is the InChIKey of 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine?
The InChIKey is SYSMTVDZJFNDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-3-12(10-5-4-6-11(14)7-10)17-13(15)9(2)8-16-17/h4-8,12H,3,15H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine?
1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine has a molecular weight of 249.75 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)propyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 43148085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).