4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine

C13H17FN4O — CID 55218001

IUPAC4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine
SMILESCOc1cc(NC(C)Cn2cccn2)c(N)cc1F
InChIInChI=1S/C13H17FN4O/c1-9(8-18-5-3-4-16-18)17-12-7-13(19-2)10(14)6-11(12)15/h3-7,9,17H,8,15H2,1-2H3
InChIKeyOZEMFBVFHAQMOM-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.11
Rot. Bonds5

About 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine

4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine (PubChem CID 55218001) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine
PubChem CID55218001
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine
SMILESCOc1cc(NC(C)Cn2cccn2)c(N)cc1F
InChIInChI=1S/C13H17FN4O/c1-9(8-18-5-3-4-16-18)17-12-7-13(19-2)10(14)6-11(12)15/h3-7,9,17H,8,15H2,1-2H3
InChIKeyOZEMFBVFHAQMOM-UHFFFAOYSA-N
XLogP2.11
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-methoxy-1-N-(4-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 113476979
7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 83164952
4-fluoro-5-methoxy-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 63597325
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
2-methylsulfanyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808927
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 63593047
8-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]quinolin-4-amine
CID 99793009
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627
4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
CID 102694545
2-(2-amino-4-fluoro-5-methoxyanilino)-3-methylbutanamide
CID 106343926
5-fluoro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 63672825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine (CID 55218001) is 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine is COc1cc(NC(C)Cn2cccn2)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is OZEMFBVFHAQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-9(8-18-5-3-4-16-18)17-12-7-13(19-2)10(14)6-11(12)15/h3-7,9,17H,8,15H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine?
4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 264.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 55218001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).