N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine

C11H13FN4 — CID 117210594

IUPACN'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H13FN4/c12-9-1-3-11(4-2-9)16-8-10(7-15-16)14-6-5-13/h1-4,7-8,14H,5-6,13H2
InChIKeyIXNHPDDSTYLBPS-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.38
Rot. Bonds4

About N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine

N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210594) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210594
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC NameN'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine
SMILESNCCNc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C11H13FN4/c12-9-1-3-11(4-2-9)16-8-10(7-15-16)14-6-5-13/h1-4,7-8,14H,5-6,13H2
InChIKeyIXNHPDDSTYLBPS-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine (CID 117210594) is N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine is NCCNc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is IXNHPDDSTYLBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-9-1-3-11(4-2-9)16-8-10(7-15-16)14-6-5-13/h1-4,7-8,14H,5-6,13H2.
What are the key properties of N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine?
N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 220.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).