N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine

C14H19FN4 — CID 61492057

IUPACN'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
SMILESNCCCN(CCn1cccn1)c1cccc(F)c1
InChIInChI=1S/C14H19FN4/c15-13-4-1-5-14(12-13)18(8-2-6-16)10-11-19-9-3-7-17-19/h1,3-5,7,9,12H,2,6,8,10-11,16H2
InChIKeyGCXMKYBBHIDJIF-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.88
Rot. Bonds7

About N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine

N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine (PubChem CID 61492057) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
PubChem CID61492057
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
SMILESNCCCN(CCn1cccn1)c1cccc(F)c1
InChIInChI=1S/C14H19FN4/c15-13-4-1-5-14(12-13)18(8-2-6-16)10-11-19-9-3-7-17-19/h1,3-5,7,9,12H,2,6,8,10-11,16H2
InChIKeyGCXMKYBBHIDJIF-UHFFFAOYSA-N
XLogP1.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865395
N'-(3-fluorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]propane-1,3-diamine
CID 103000063
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 62920963
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152450
N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 61494615
N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136251
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine (CID 61492057) is N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine is NCCCN(CCn1cccn1)c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine?
The InChIKey is GCXMKYBBHIDJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c15-13-4-1-5-14(12-13)18(8-2-6-16)10-11-19-9-3-7-17-19/h1,3-5,7,9,12H,2,6,8,10-11,16H2.
What are the key properties of N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine?
N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine has a molecular weight of 262.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 61492057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).