5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine

C10H8BrF2N3O — CID 130358930

IUPAC5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C10H8BrF2N3O/c11-5-1-2-8(17-10(12)13)6(3-5)9-7(14)4-15-16-9/h1-4,10H,14H2,(H,15,16)
InChIKeySMCHLBKJHIFCMI-UHFFFAOYSA-N
MW304.09 g/mol
LogP3.02
Rot. Bonds3

About 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine

5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine (PubChem CID 130358930) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
PubChem CID130358930
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C10H8BrF2N3O/c11-5-1-2-8(17-10(12)13)6(3-5)9-7(14)4-15-16-9/h1-4,10H,14H2,(H,15,16)
InChIKeySMCHLBKJHIFCMI-UHFFFAOYSA-N
XLogP3.02
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-(1H-pyrazol-3-yl)phenol
CID 838844
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
3-(4-Methoxyphenyl)-1H-pyrazol-4-amine
CID 13303414
Pyrazole, 4-amino-5-(m-methoxyphenyl)-, hydrochloride
CID 13303416
Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
5-(3-methoxyphenyl)-1H-pyrazol-4-amine
CID 13303415
4-bromo-5-[4-fluoro-2-(2-methoxyethoxy)phenyl]-1H-pyrazole
CID 22031377
4-bromo-5-(2-fluoro-4-methoxyphenyl)-1H-pyrazole
CID 22031781
5-[2-(difluoromethoxy)phenyl]-1H-pyrazole
CID 22660758
5-[3-(difluoromethoxy)phenyl]-1H-pyrazole
CID 22660760
4-(bromomethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 67774573

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine (CID 130358930) is 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1cc(Br)ccc1OC(F)F.
What is the InChIKey of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine?
The InChIKey is SMCHLBKJHIFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c11-5-1-2-8(17-10(12)13)6(3-5)9-7(14)4-15-16-9/h1-4,10H,14H2,(H,15,16).
What are the key properties of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine?
5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine has a molecular weight of 304.09 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 130358930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).