1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine

C23H30FN5 — CID 22037362

IUPAC1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H30FN5/c1-4-29(5-2)14-6-7-17(3)27-22-15-19(12-13-25-22)21-16-26-28-23(21)18-8-10-20(24)11-9-18/h8-13,15-17H,4-7,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyXHHKARITFYKXGY-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.20
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine (PubChem CID 22037362) has the molecular formula C23H30FN5 and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine
PubChem CID22037362
Molecular FormulaC23H30FN5
Molecular Weight395.53 g/mol
Exact Mass395.25
IUPAC Name1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H30FN5/c1-4-29(5-2)14-6-7-17(3)27-22-15-19(12-13-25-22)21-16-26-28-23(21)18-8-10-20(24)11-9-18/h8-13,15-17H,4-7,14H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyXHHKARITFYKXGY-UHFFFAOYSA-N
XLogP5.20
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 22037392
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
CID 70208992
2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
CID 22953659
3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 22037776
N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
CID 174409747
2-fluoro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037455
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
N,N-diethyl-3-[4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]piperazin-1-yl]propan-1-amine
CID 22031303
[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]methanol
CID 71710905
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 22037335
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080651
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-1-phenylpropan-2-ol
CID 91090096

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine (CID 22037362) is 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine?
The InChIKey is XHHKARITFYKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5/c1-4-29(5-2)14-6-7-17(3)27-22-15-19(12-13-25-22)21-16-26-28-23(21)18-8-10-20(24)11-9-18/h8-13,15-17H,4-7,14H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine has a molecular weight of 395.53 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]pentane-1,4-diamine is sourced from PubChem (CID 22037362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).