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

C10H9F2N3O — CID 117322736

IUPAC4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccccc1OC(F)F
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-8-4-2-1-3-6(8)7-5-14-15-9(7)13/h1-5,10H,(H3,13,14,15)
InChIKeyZGLDXTPHDHINBV-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.26
Rot. Bonds3

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

4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 117322736) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
PubChem CID117322736
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccccc1OC(F)F
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-8-4-2-1-3-6(8)7-5-14-15-9(7)13/h1-5,10H,(H3,13,14,15)
InChIKeyZGLDXTPHDHINBV-UHFFFAOYSA-N
XLogP2.26
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
4-[2-[2-(diethylamino)ethoxy]phenyl]-1H-pyrazol-5-amine
CID 141134738
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
CID 175713970
2-(5-amino-1H-pyrazol-4-yl)benzonitrile
CID 117279793
4-[2-(thietan-3-yl)phenyl]-1H-pyrazol-5-amine
CID 117334800
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117487266

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine (CID 117322736) is 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccccc1OC(F)F.
What is the InChIKey of 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is ZGLDXTPHDHINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12)16-8-4-2-1-3-6(8)7-5-14-15-9(7)13/h1-5,10H,(H3,13,14,15).
What are the key properties of 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 225.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117322736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).