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

C15H12ClFN4 — CID 56974554

IUPAC4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine
SMILESFc1ccc(Nc2[nH]ncc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN4/c16-10-2-1-3-13(8-10)19-14-9-18-21-15(14)20-12-6-4-11(17)5-7-12/h1-9,19H,(H2,18,20,21)
InChIKeyQOJKMMOSPPFBAC-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.69
Rot. Bonds4

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

4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine (PubChem CID 56974554) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine
PubChem CID56974554
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine
SMILESFc1ccc(Nc2[nH]ncc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN4/c16-10-2-1-3-13(8-10)19-14-9-18-21-15(14)20-12-6-4-11(17)5-7-12/h1-9,19H,(H2,18,20,21)
InChIKeyQOJKMMOSPPFBAC-UHFFFAOYSA-N
XLogP4.69
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine (CID 56974554) is 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine is Fc1ccc(Nc2[nH]ncc2Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is QOJKMMOSPPFBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c16-10-2-1-3-13(8-10)19-14-9-18-21-15(14)20-12-6-4-11(17)5-7-12/h1-9,19H,(H2,18,20,21).
What are the key properties of 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine?
4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 302.74 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-5-N-(4-fluorophenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 56974554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).