N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C14H19FN4 — CID 105113863

IUPACN-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cncc(F)c1
InChIInChI=1S/C14H19FN4/c1-3-4-17-14(5-11-7-18-19(2)10-11)12-6-13(15)9-16-8-12/h6-10,14,17H,3-5H2,1-2H3
InChIKeyHRHQTHCKJXCSTE-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.24
Rot. Bonds6

About N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 105113863) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID105113863
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1cncc(F)c1
InChIInChI=1S/C14H19FN4/c1-3-4-17-14(5-11-7-18-19(2)10-11)12-6-13(15)9-16-8-12/h6-10,14,17H,3-5H2,1-2H3
InChIKeyHRHQTHCKJXCSTE-UHFFFAOYSA-N
XLogP2.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105167116
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620
1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
CID 116661087
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 105113863) is N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is HRHQTHCKJXCSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-4-17-14(5-11-7-18-19(2)10-11)12-6-13(15)9-16-8-12/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 262.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105113863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).