N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine

C11H12FN3O — CID 90965470

IUPACN-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine
SMILESCCOc1cccc(F)c1Nc1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c1-2-16-9-5-3-4-8(12)11(9)14-10-6-7-13-15-10/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeyVOQXSJQCVSDUFQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.69
Rot. Bonds4

About N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine

N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 90965470) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID90965470
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine
SMILESCCOc1cccc(F)c1Nc1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c1-2-16-9-5-3-4-8(12)11(9)14-10-6-7-13-15-10/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeyVOQXSJQCVSDUFQ-UHFFFAOYSA-N
XLogP2.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-(2-methoxyanilino)-1H-pyrazole-4-carbonitrile
CID 11064220
5-(4-Methoxyphenylamino)pyrazole
CID 14838491
2-ethoxy-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43730176
5-Amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile
CID 58110911
2-(3-Fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 67052556
1-(2-Ethoxy-6-fluorophenyl)-1H-pyrazol-3-amine
CID 67377741
4-fluoro-N-[(1H-pyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 75434183
1-(2-ethoxy-3-fluorophenyl)-1H-pyrazole-3-amine
CID 90095635
N-[3-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 90702218
N-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 90746867
N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 90851003
N-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 90872376

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine (CID 90965470) is N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine is CCOc1cccc(F)c1Nc1ccn[nH]1.
What is the InChIKey of N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is VOQXSJQCVSDUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-16-9-5-3-4-8(12)11(9)14-10-6-7-13-15-10/h3-7H,2H2,1H3,(H2,13,14,15).
What are the key properties of N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine?
N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 221.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 90965470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).