[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine

C10H9Cl2N3 — CID 79487686

IUPAC[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-7-1-2-8(9(12)3-7)10-6(4-13)5-14-15-10/h1-3,5H,4,13H2,(H,14,15)
InChIKeyRKUZGEQBLDTXEP-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.84
Rot. Bonds2

About [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine

[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79487686) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID79487686
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3/c11-7-1-2-8(9(12)3-7)10-6(4-13)5-14-15-10/h1-3,5H,4,13H2,(H,14,15)
InChIKeyRKUZGEQBLDTXEP-UHFFFAOYSA-N
XLogP2.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine (CID 79487686) is [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is RKUZGEQBLDTXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c11-7-1-2-8(9(12)3-7)10-6(4-13)5-14-15-10/h1-3,5H,4,13H2,(H,14,15).
What are the key properties of [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine?
[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 242.11 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).