5-(3-chloropropyl)-1-methylpyrazol-4-amine

C7H12ClN3 — CID 175898779

IUPAC5-(3-chloropropyl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1CCCCl
InChIInChI=1S/C7H12ClN3/c1-11-7(3-2-4-8)6(9)5-10-11/h5H,2-4,9H2,1H3
InChIKeyGORRYSWENMACLM-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.17
Rot. Bonds3

About 5-(3-chloropropyl)-1-methylpyrazol-4-amine

5-(3-chloropropyl)-1-methylpyrazol-4-amine (PubChem CID 175898779) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 5-(3-chloropropyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-chloropropyl)-1-methylpyrazol-4-amine
PubChem CID175898779
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name5-(3-chloropropyl)-1-methylpyrazol-4-amine
SMILESCn1ncc(N)c1CCCCl
InChIInChI=1S/C7H12ClN3/c1-11-7(3-2-4-8)6(9)5-10-11/h5H,2-4,9H2,1H3
InChIKeyGORRYSWENMACLM-UHFFFAOYSA-N
XLogP1.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropyl)-1-methylpyrazol-4-amine?
The IUPAC name of 5-(3-chloropropyl)-1-methylpyrazol-4-amine (CID 175898779) is 5-(3-chloropropyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(3-chloropropyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(3-chloropropyl)-1-methylpyrazol-4-amine is Cn1ncc(N)c1CCCCl.
What is the InChIKey of 5-(3-chloropropyl)-1-methylpyrazol-4-amine?
The InChIKey is GORRYSWENMACLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-11-7(3-2-4-8)6(9)5-10-11/h5H,2-4,9H2,1H3.
What are the key properties of 5-(3-chloropropyl)-1-methylpyrazol-4-amine?
5-(3-chloropropyl)-1-methylpyrazol-4-amine has a molecular weight of 173.65 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 175898779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).