1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine

C12H14ClFN4 — CID 82703177

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(-c2ncc(Cl)cc2F)c(CC)c1N
InChIInChI=1S/C12H14ClFN4/c1-3-9-11(15)10(4-2)18(17-9)12-8(14)5-7(13)6-16-12/h5-6H,3-4,15H2,1-2H3
InChIKeyGUQOLHXNDLBZLK-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.77
Rot. Bonds3

About 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine

1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine (PubChem CID 82703177) has the molecular formula C12H14ClFN4 and a molecular weight of 268.72 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
PubChem CID82703177
Molecular FormulaC12H14ClFN4
Molecular Weight268.72 g/mol
Exact Mass268.09
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(-c2ncc(Cl)cc2F)c(CC)c1N
InChIInChI=1S/C12H14ClFN4/c1-3-9-11(15)10(4-2)18(17-9)12-8(14)5-7(13)6-16-12/h5-6H,3-4,15H2,1-2H3
InChIKeyGUQOLHXNDLBZLK-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702386
3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine
CID 82692897
5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine
CID 79728001
3,5-diethyl-1-(5-methyl-2-pyridinyl)pyrazol-4-amine
CID 82702145
1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702781
3,5-diethyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrazol-4-amine
CID 82702865
2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide
CID 82703106
1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 79733363
5-chloro-3-fluoro-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 141290024
5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
CID 79728793
5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
CID 58431434
3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 82703182

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine (CID 82703177) is 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine is CCc1nn(-c2ncc(Cl)cc2F)c(CC)c1N.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The InChIKey is GUQOLHXNDLBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4/c1-3-9-11(15)10(4-2)18(17-9)12-8(14)5-7(13)6-16-12/h5-6H,3-4,15H2,1-2H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine has a molecular weight of 268.72 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine is sourced from PubChem (CID 82703177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).