3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol

C10H9ClFN3O2 — CID 117397370

IUPAC3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1-c1cn[nH]c1N
InChIInChI=1S/C10H9ClFN3O2/c1-17-9-6(16)2-5(11)8(12)7(9)4-3-14-15-10(4)13/h2-3,16H,1H3,(H3,13,14,15)
InChIKeyOZDCIEAEIXWPKP-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.17
Rot. Bonds2

About 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol

3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol (PubChem CID 117397370) has the molecular formula C10H9ClFN3O2 and a molecular weight of 257.65 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
PubChem CID117397370
Molecular FormulaC10H9ClFN3O2
Molecular Weight257.65 g/mol
Exact Mass257.04
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1-c1cn[nH]c1N
InChIInChI=1S/C10H9ClFN3O2/c1-17-9-6(16)2-5(11)8(12)7(9)4-3-14-15-10(4)13/h2-3,16H,1H3,(H3,13,14,15)
InChIKeyOZDCIEAEIXWPKP-UHFFFAOYSA-N
XLogP2.17
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
CID 117350062
2-(5-amino-1H-pyrazol-4-yl)-6-chloro-3,4-difluorophenol
CID 117366441
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5-difluorophenol
CID 117468094
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol (CID 117397370) is 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol is COc1c(O)cc(Cl)c(F)c1-c1cn[nH]c1N.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol?
The InChIKey is OZDCIEAEIXWPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2/c1-17-9-6(16)2-5(11)8(12)7(9)4-3-14-15-10(4)13/h2-3,16H,1H3,(H3,13,14,15).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol?
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol has a molecular weight of 257.65 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol is sourced from PubChem (CID 117397370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).