N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

C14H19FN4 — CID 103571920

IUPACN-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)Nc2cccc(F)c2)cn1
InChIInChI=1S/C14H19FN4/c1-2-6-19-10-11(9-17-19)14(8-16)18-13-5-3-4-12(15)7-13/h3-5,7,9-10,14,18H,2,6,8,16H2,1H3
InChIKeyIQQAITXZQUJDDW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.54
Rot. Bonds6

About N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 103571920) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID103571920
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cc(C(CN)Nc2cccc(F)c2)cn1
InChIInChI=1S/C14H19FN4/c1-2-6-19-10-11(9-17-19)14(8-16)18-13-5-3-4-12(15)7-13/h3-5,7,9-10,14,18H,2,6,8,16H2,1H3
InChIKeyIQQAITXZQUJDDW-UHFFFAOYSA-N
XLogP2.54
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
CID 103570268
N-ethyl-N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571826
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937210
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 103569661
N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 63033873
2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572064
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
1-(3-fluorophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 102612940
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine (CID 103571920) is N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is CCCn1cc(C(CN)Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is IQQAITXZQUJDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-2-6-19-10-11(9-17-19)14(8-16)18-13-5-3-4-12(15)7-13/h3-5,7,9-10,14,18H,2,6,8,16H2,1H3.
What are the key properties of N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine?
N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103571920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).