2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline

C10H10FN3O — CID 164869783

IUPAC2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline
SMILESCNc1ccc(Oc2ccn[nH]2)cc1F
InChIInChI=1S/C10H10FN3O/c1-12-9-3-2-7(6-8(9)11)15-10-4-5-13-14-10/h2-6,12H,1H3,(H,13,14)
InChIKeyFCIOLIRBNBMTTM-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.38
Rot. Bonds3

About 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline

2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline (PubChem CID 164869783) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline
PubChem CID164869783
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline
SMILESCNc1ccc(Oc2ccn[nH]2)cc1F
InChIInChI=1S/C10H10FN3O/c1-12-9-3-2-7(6-8(9)11)15-10-4-5-13-14-10/h2-6,12H,1H3,(H,13,14)
InChIKeyFCIOLIRBNBMTTM-UHFFFAOYSA-N
XLogP2.38
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline?
The IUPAC name of 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline (CID 164869783) is 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline is CNc1ccc(Oc2ccn[nH]2)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline?
The InChIKey is FCIOLIRBNBMTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-12-9-3-2-7(6-8(9)11)15-10-4-5-13-14-10/h2-6,12H,1H3,(H,13,14).
What are the key properties of 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline?
2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline has a molecular weight of 207.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline is sourced from PubChem (CID 164869783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).