2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine

C11H19FN4 — CID 115035648

IUPAC2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(C2CCNCC2)c1F
InChIInChI=1S/C11H19FN4/c1-13-5-2-9-8-15-16(11(9)12)10-3-6-14-7-4-10/h8,10,13-14H,2-7H2,1H3
InChIKeyRGVSQVRDRVMLDD-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.71
Rot. Bonds4

About 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine

2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine (PubChem CID 115035648) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine
PubChem CID115035648
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(C2CCNCC2)c1F
InChIInChI=1S/C11H19FN4/c1-13-5-2-9-8-15-16(11(9)12)10-3-6-14-7-4-10/h8,10,13-14H,2-7H2,1H3
InChIKeyRGVSQVRDRVMLDD-UHFFFAOYSA-N
XLogP0.71
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid
CID 115035957
2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
CID 115028565
ethane;4-(4-ethyl-5-methylpyrazol-1-yl)piperidine
CID 171660480
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
CID 115027444
[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
CID 115021653
4-[(4-cyanophenoxy)methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
CID 141282628
1-cyclopropyl-5-fluoro-4-iodopyrazole
CID 167721010
1-cyclopropyl-5-fluoropyrazol-4-amine
CID 115011395
1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105459588
4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine
CID 115055499
5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride
CID 134494617
4-[[4-(aminomethyl)-2-fluoro-3-methylphenoxy]methyl]-1-piperidin-4-ylpyrazole-5-carbonitrile
CID 151839007

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine (CID 115035648) is 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine is CNCCc1cnn(C2CCNCC2)c1F.
What is the InChIKey of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is RGVSQVRDRVMLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-13-5-2-9-8-15-16(11(9)12)10-3-6-14-7-4-10/h8,10,13-14H,2-7H2,1H3.
What are the key properties of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine?
2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 226.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 115035648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).