5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine

C15H19ClFN3O — CID 167113880

IUPAC5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine
SMILESCC(C)CCC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N
InChIInChI=1S/C15H19ClFN3O/c1-9(2)3-6-14(17)21-13-5-4-10(16)7-11(13)15-12(18)8-19-20-15/h4-5,7-9,14H,3,6,18H2,1-2H3,(H,19,20)
InChIKeyMXCAHJNEWKUCNJ-UHFFFAOYSA-N
MW311.79 g/mol
LogP4.42
Rot. Bonds6

About 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine

5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine (PubChem CID 167113880) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine
PubChem CID167113880
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine
SMILESCC(C)CCC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N
InChIInChI=1S/C15H19ClFN3O/c1-9(2)3-6-14(17)21-13-5-4-10(16)7-11(13)15-12(18)8-19-20-15/h4-5,7-9,14H,3,6,18H2,1-2H3,(H,19,20)
InChIKeyMXCAHJNEWKUCNJ-UHFFFAOYSA-N
XLogP4.42
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US11352330, Example F1
CID 126650770
Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
CID 118531698
3-(4-Chloro-2-trifluoromethylphenyloxy)-5-methylpyrazole
CID 17862347
5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole
CID 22031289
5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
CID 58898710
5-[2-chloro-6-(2,4-difluorophenoxy)phenyl]-1H-pyrazole
CID 69642185
5-[4-(4-chloro-2-fluorophenoxy)phenyl]-1H-pyrazole
CID 69893543
5-(4-fluoro-2-methoxyphenyl)-1H-pyrazole
CID 70662650
3-[5-chloro-2-(3,3-dimethylbutoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole
CID 70807948
3-(2-butoxy-5-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 70811915

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine (CID 167113880) is 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine is CC(C)CCC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N.
What is the InChIKey of 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine?
The InChIKey is MXCAHJNEWKUCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-9(2)3-6-14(17)21-13-5-4-10(16)7-11(13)15-12(18)8-19-20-15/h4-5,7-9,14H,3,6,18H2,1-2H3,(H,19,20).
What are the key properties of 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine?
5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine has a molecular weight of 311.79 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(1-fluoro-4-methylpentoxy)phenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 167113880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).