2-chloro-6-(1H-pyrazol-5-yl)aniline

C9H8ClN3 — CID 135066259

IUPAC2-chloro-6-(1H-pyrazol-5-yl)aniline
SMILESNc1c(Cl)cccc1-c1ccn[nH]1
InChIInChI=1S/C9H8ClN3/c10-7-3-1-2-6(9(7)11)8-4-5-12-13-8/h1-5H,11H2,(H,12,13)
InChIKeyFUZSNUVJMRMUFA-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.31
Rot. Bonds1

About 2-chloro-6-(1H-pyrazol-5-yl)aniline

2-chloro-6-(1H-pyrazol-5-yl)aniline (PubChem CID 135066259) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 2-chloro-6-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(1H-pyrazol-5-yl)aniline
PubChem CID135066259
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name2-chloro-6-(1H-pyrazol-5-yl)aniline
SMILESNc1c(Cl)cccc1-c1ccn[nH]1
InChIInChI=1S/C9H8ClN3/c10-7-3-1-2-6(9(7)11)8-4-5-12-13-8/h1-5H,11H2,(H,12,13)
InChIKeyFUZSNUVJMRMUFA-UHFFFAOYSA-N
XLogP2.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1H-pyrazol-5-yl)aniline?
The IUPAC name of 2-chloro-6-(1H-pyrazol-5-yl)aniline (CID 135066259) is 2-chloro-6-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 2-chloro-6-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for 2-chloro-6-(1H-pyrazol-5-yl)aniline is Nc1c(Cl)cccc1-c1ccn[nH]1.
What is the InChIKey of 2-chloro-6-(1H-pyrazol-5-yl)aniline?
The InChIKey is FUZSNUVJMRMUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-7-3-1-2-6(9(7)11)8-4-5-12-13-8/h1-5H,11H2,(H,12,13).
What are the key properties of 2-chloro-6-(1H-pyrazol-5-yl)aniline?
2-chloro-6-(1H-pyrazol-5-yl)aniline has a molecular weight of 193.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 135066259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).