5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide

C10H11BrFN3O — CID 117464714

IUPAC5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
SMILESBr.COc1c(F)cccc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10FN3O.BrH/c1-15-10-6(3-2-4-7(10)11)8-5-9(12)14-13-8;/h2-5H,1H3,(H3,12,13,14);1H
InChIKeyHOFISQGKMWHMLN-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.38
Rot. Bonds2

About 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide

5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide (PubChem CID 117464714) has the molecular formula C10H11BrFN3O and a molecular weight of 288.12 g/mol. Its IUPAC name is 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide.

Molecular Properties

Compound Name5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
PubChem CID117464714
Molecular FormulaC10H11BrFN3O
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
SMILESBr.COc1c(F)cccc1-c1cc(N)n[nH]1
InChIInChI=1S/C10H10FN3O.BrH/c1-15-10-6(3-2-4-7(10)11)8-5-9(12)14-13-8;/h2-5H,1H3,(H3,12,13,14);1H
InChIKeyHOFISQGKMWHMLN-UHFFFAOYSA-N
XLogP2.38
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(1-fluoroethyl)-2-methoxyphenyl]-1H-pyrazol-3-amine
CID 117342094
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-(3-fluoro-2-methoxyphenyl)-1H-pyrrol-3-amine
CID 96617521
5-[3-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 117364136
5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117348125
5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117421240
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985687
5-(2-cyclopentyloxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117435982
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(3-bromo-2,5-difluoro-6-methoxyphenyl)-1H-pyrazol-3-amine
CID 117488856
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide?
The IUPAC name of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide (CID 117464714) is 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide.
What is the SMILES notation for 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide?
The canonical SMILES for 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide is Br.COc1c(F)cccc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide?
The InChIKey is HOFISQGKMWHMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O.BrH/c1-15-10-6(3-2-4-7(10)11)8-5-9(12)14-13-8;/h2-5H,1H3,(H3,12,13,14);1H.
What are the key properties of 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide?
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide has a molecular weight of 288.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide is sourced from PubChem (CID 117464714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).