5-(4-chlorophenyl)-1H-pyrazol-4-amine

C9H8ClN3 — CID 13303421

IUPAC5-(4-chlorophenyl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2,(H,12,13)
InChIKeyLFSLUVMNIIJPQB-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.31
Rot. Bonds1

About 5-(4-chlorophenyl)-1H-pyrazol-4-amine

5-(4-chlorophenyl)-1H-pyrazol-4-amine (PubChem CID 13303421) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1H-pyrazol-4-amine
PubChem CID13303421
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name5-(4-chlorophenyl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2,(H,12,13)
InChIKeyLFSLUVMNIIJPQB-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-1H-pyrazol-4-amine (CID 13303421) is 5-(4-chlorophenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1H-pyrazol-4-amine?
The InChIKey is LFSLUVMNIIJPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2,(H,12,13).
What are the key properties of 5-(4-chlorophenyl)-1H-pyrazol-4-amine?
5-(4-chlorophenyl)-1H-pyrazol-4-amine 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 5-(4-chlorophenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 13303421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).