1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine

C13H17FN4 — CID 103569661

IUPAC1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)Nc2ccccc2F)cn1
InChIInChI=1S/C13H17FN4/c1-2-18-9-10(8-16-18)13(7-15)17-12-6-4-3-5-11(12)14/h3-6,8-9,13,17H,2,7,15H2,1H3
InChIKeyOZIKXVAYUCOZGF-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.15
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine

1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 103569661) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID103569661
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)Nc2ccccc2F)cn1
InChIInChI=1S/C13H17FN4/c1-2-18-9-10(8-16-18)13(7-15)17-12-6-4-3-5-11(12)14/h3-6,8-9,13,17H,2,7,15H2,1H3
InChIKeyOZIKXVAYUCOZGF-UHFFFAOYSA-N
XLogP2.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65379188
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
N-but-3-enyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569730
N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571920
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83090827
[1-(1-ethylpyrazol-4-yl)-2-phenoxyethyl]hydrazine
CID 105212974
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
CID 103570268
[1-(1-ethylpyrazol-4-yl)-4-phenylbutyl]hydrazine
CID 105289896

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine (CID 103569661) is 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine is CCn1cc(C(CN)Nc2ccccc2F)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is OZIKXVAYUCOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-2-18-9-10(8-16-18)13(7-15)17-12-6-4-3-5-11(12)14/h3-6,8-9,13,17H,2,7,15H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine?
1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 248.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 103569661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).