5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine

C12H9ClFN5 — CID 141367860

IUPAC5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClFN5/c13-8-3-6(1-2-9(8)14)7-4-16-18-11(7)12-10(15)5-17-19-12/h1-5H,15H2,(H,16,18)(H,17,19)
InChIKeyVTCHGSVBOYSNRL-UHFFFAOYSA-N
MW277.69 g/mol
LogP2.84
Rot. Bonds2

About 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine

5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine (PubChem CID 141367860) has the molecular formula C12H9ClFN5 and a molecular weight of 277.69 g/mol. Its IUPAC name is 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine
PubChem CID141367860
Molecular FormulaC12H9ClFN5
Molecular Weight277.69 g/mol
Exact Mass277.05
IUPAC Name5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClFN5/c13-8-3-6(1-2-9(8)14)7-4-16-18-11(7)12-10(15)5-17-19-12/h1-5H,15H2,(H,16,18)(H,17,19)
InChIKeyVTCHGSVBOYSNRL-UHFFFAOYSA-N
XLogP2.84
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115504348
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2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione
CID 106521078
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
CID 154491984
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
3-bromo-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinoline
CID 146662199
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
5-(4-bromophenyl)-4-fluoro-1H-pyrazole
CID 136576038
2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile
CID 82476521
5-(5-chloro-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
CID 115109656

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine (CID 141367860) is 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1[nH]ncc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine?
The InChIKey is VTCHGSVBOYSNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN5/c13-8-3-6(1-2-9(8)14)7-4-16-18-11(7)12-10(15)5-17-19-12/h1-5H,15H2,(H,16,18)(H,17,19).
What are the key properties of 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine?
5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine has a molecular weight of 277.69 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine is sourced from PubChem (CID 141367860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).