5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine

C11H13FN4 — CID 61459841

IUPAC5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NCCn2cccn2)c1
InChIInChI=1S/C11H13FN4/c12-9-6-10(13)8-11(7-9)14-3-5-16-4-1-2-15-16/h1-2,4,6-8,14H,3,5,13H2
InChIKeyMGWYMPOMPVATNK-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.72
Rot. Bonds4

About 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine

5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine (PubChem CID 61459841) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
PubChem CID61459841
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NCCn2cccn2)c1
InChIInChI=1S/C11H13FN4/c12-9-6-10(13)8-11(7-9)14-3-5-16-4-1-2-15-16/h1-2,4,6-8,14H,3,5,13H2
InChIKeyMGWYMPOMPVATNK-UHFFFAOYSA-N
XLogP1.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propoxy-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 80734248
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
6-chloro-N-(2-pyrazol-1-ylethyl)pyridazin-4-amine
CID 114478512
3,5-dichloro-6-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 102756813
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
5-fluoro-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80808338
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
2,3,4-trifluoro-N-(2-pyrazol-1-ylethyl)aniline
CID 54961881
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
3-chloro-4-methyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491572
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine (CID 61459841) is 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine is Nc1cc(F)cc(NCCn2cccn2)c1.
What is the InChIKey of 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
The InChIKey is MGWYMPOMPVATNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-9-6-10(13)8-11(7-9)14-3-5-16-4-1-2-15-16/h1-2,4,6-8,14H,3,5,13H2.
What are the key properties of 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine?
5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine has a molecular weight of 220.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 61459841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).