N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine

C13H17FN4 — CID 114251941

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(Nc1ccn(C(C)C)n1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN4/c1-9(2)18-7-6-13(17-18)16-10(3)12-5-4-11(14)8-15-12/h4-10H,1-3H3,(H,16,17)
InChIKeyCYDVXMCPDYXNPZ-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.17
Rot. Bonds4

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

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine (PubChem CID 114251941) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine
PubChem CID114251941
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine
SMILESCC(Nc1ccn(C(C)C)n1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN4/c1-9(2)18-7-6-13(17-18)16-10(3)12-5-4-11(14)8-15-12/h4-10H,1-3H3,(H,16,17)
InChIKeyCYDVXMCPDYXNPZ-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 83119610
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370
4-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117908
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-nitroaniline
CID 83117361
4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzene-1,2-dicarbonitrile
CID 107788261
3-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 113354863

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine (CID 114251941) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine is CC(Nc1ccn(C(C)C)n1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine?
The InChIKey is CYDVXMCPDYXNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-9(2)18-7-6-13(17-18)16-10(3)12-5-4-11(14)8-15-12/h4-10H,1-3H3,(H,16,17).
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine has a molecular weight of 248.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 114251941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).