1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine

C13H17FN4 — CID 112583054

IUPAC1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
SMILESCCC(NCCn1cccn1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN4/c1-2-12(13-5-4-11(14)10-16-13)15-7-9-18-8-3-6-17-18/h3-6,8,10,12,15H,2,7,9H2,1H3
InChIKeyCAPGURLQXJWKQN-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.16
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine (PubChem CID 112583054) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
PubChem CID112583054
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
SMILESCCC(NCCn1cccn1)c1ccc(F)cn1
InChIInChI=1S/C13H17FN4/c1-2-12(13-5-4-11(14)10-16-13)15-7-9-18-8-3-6-17-18/h3-6,8,10,12,15H,2,7,9H2,1H3
InChIKeyCAPGURLQXJWKQN-UHFFFAOYSA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 83117451
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 54951481
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
1-(5-fluoro-2-pyridinyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395927
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine (CID 112583054) is 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine is CCC(NCCn1cccn1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
The InChIKey is CAPGURLQXJWKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-2-12(13-5-4-11(14)10-16-13)15-7-9-18-8-3-6-17-18/h3-6,8,10,12,15H,2,7,9H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine has a molecular weight of 248.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine is sourced from PubChem (CID 112583054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).