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

C12H13F2N3O — CID 43539990

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1ccccc1OC(F)F
InChIInChI=1S/C12H13F2N3O/c1-8(17-9-6-15-16-7-9)10-4-2-3-5-11(10)18-12(13)14/h2-8,12,17H,1H3,(H,15,16)
InChIKeyNPDYORWLXYZLKY-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.18
Rot. Bonds5

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

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine (PubChem CID 43539990) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
PubChem CID43539990
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1)c1ccccc1OC(F)F
InChIInChI=1S/C12H13F2N3O/c1-8(17-9-6-15-16-7-9)10-4-2-3-5-11(10)18-12(13)14/h2-8,12,17H,1H3,(H,15,16)
InChIKeyNPDYORWLXYZLKY-UHFFFAOYSA-N
XLogP3.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazole-4-sulfonamide
CID 61276318
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932280
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43194545
N-(1-naphthalen-1-ylethyl)-1H-pyrazol-4-amine
CID 43540043
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-iodo-4-methylaniline
CID 43716319
2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429728
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
CID 43540011
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 34002400
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine (CID 43539990) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine is CC(Nc1cn[nH]c1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
The InChIKey is NPDYORWLXYZLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-8(17-9-6-15-16-7-9)10-4-2-3-5-11(10)18-12(13)14/h2-8,12,17H,1H3,(H,15,16).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine has a molecular weight of 253.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).