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

C10H9F2N3O — CID 90746867

IUPACN-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESFC(F)Oc1ccc(Nc2ccn[nH]2)cc1
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-8-3-1-7(2-4-8)14-9-5-6-13-15-9/h1-6,10H,(H2,13,14,15)
InChIKeyFBKGDNRKIFOLRX-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.75
Rot. Bonds4

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

N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 90746867) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
PubChem CID90746867
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
SMILESFC(F)Oc1ccc(Nc2ccn[nH]2)cc1
InChIInChI=1S/C10H9F2N3O/c11-10(12)16-8-3-1-7(2-4-8)14-9-5-6-13-15-9/h1-6,10H,(H2,13,14,15)
InChIKeyFBKGDNRKIFOLRX-UHFFFAOYSA-N
XLogP2.75
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine (CID 90746867) is N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine is FC(F)Oc1ccc(Nc2ccn[nH]2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is FBKGDNRKIFOLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12)16-8-3-1-7(2-4-8)14-9-5-6-13-15-9/h1-6,10H,(H2,13,14,15).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine?
N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 225.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 90746867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).