4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine

C9H8ClFN4 — CID 82234944

IUPAC4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFN4/c10-6-3-5(1-2-7(6)11)14-8-4-13-15-9(8)12/h1-4,14H,(H3,12,13,15)
InChIKeyIMOGALCKPOWZIH-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.53
Rot. Bonds2

About 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine

4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine (PubChem CID 82234944) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine
PubChem CID82234944
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFN4/c10-6-3-5(1-2-7(6)11)14-8-4-13-15-9(8)12/h1-4,14H,(H3,12,13,15)
InChIKeyIMOGALCKPOWZIH-UHFFFAOYSA-N
XLogP2.53
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine (CID 82234944) is 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is IMOGALCKPOWZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c10-6-3-5(1-2-7(6)11)14-8-4-13-15-9(8)12/h1-4,14H,(H3,12,13,15).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine?
4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 226.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82234944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).