ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine

C12H17FN4 — CID 145307256

IUPACethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESCC.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H11FN4.C2H6/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;1-2/h2-7H,12H2,1H3;1-2H3/t7-;/m0./s1
InChIKeyCAUMNDQXIPSEEH-FJXQXJEOSA-N
MW236.29 g/mol
LogP2.45
Rot. Bonds2

About ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine

ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine (PubChem CID 145307256) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Nameethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
PubChem CID145307256
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Nameethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
SMILESCC.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H11FN4.C2H6/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;1-2/h2-7H,12H2,1H3;1-2H3/t7-;/m0./s1
InChIKeyCAUMNDQXIPSEEH-FJXQXJEOSA-N
XLogP2.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
CID 146157882
N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide
CID 142278872
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide
CID 142475463
1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
CID 115563158
(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
CID 79001910
tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
CID 146398960
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide
CID 175370478
tert-butyl 4-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethylsulfanyl]piperidine-1-carboxylate
CID 175149518
3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 146635802
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane
CID 146665700
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362

Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine (CID 145307256) is ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine is CC.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is CAUMNDQXIPSEEH-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H11FN4.C2H6/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;1-2/h2-7H,12H2,1H3;1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine?
ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 236.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 145307256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).