5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine

C10H14FN3 — CID 130506773

IUPAC5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCn1ncc(C2=CCCNC2)c1F
InChIInChI=1S/C10H14FN3/c1-2-14-10(11)9(7-13-14)8-4-3-5-12-6-8/h4,7,12H,2-3,5-6H2,1H3
InChIKeyMPPZBSOJBSKEOB-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.42
Rot. Bonds2

About 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine

5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 130506773) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID130506773
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCn1ncc(C2=CCCNC2)c1F
InChIInChI=1S/C10H14FN3/c1-2-14-10(11)9(7-13-14)8-4-3-5-12-6-8/h4,7,12H,2-3,5-6H2,1H3
InChIKeyMPPZBSOJBSKEOB-UHFFFAOYSA-N
XLogP1.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-1-propan-2-ylpyrazole
CID 135175779
5-(5-fluoro-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 139343409
4-[4-[(3E,7E)-8-fluoro-4-methyl-5-methylidenenona-1,3,7-trien-2-yl]pyrazol-1-yl]piperidine
CID 144647186
(2E,4E)-4,6-difluoro-5-(1-methylpyrazol-4-yl)hepta-2,4,6-trien-3-amine
CID 145105885
3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335254
5-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335261
4-[(2E,4Z,6Z)-6,7-difluorohepta-2,4,6-trien-2-yl]-1-methylpyrazole
CID 156099693
1-(difluoromethyl)-4-[(Z)-3-methylpent-2-en-2-yl]pyrazole
CID 156104348

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 130506773) is 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine is CCn1ncc(C2=CCCNC2)c1F.
What is the InChIKey of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is MPPZBSOJBSKEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-2-14-10(11)9(7-13-14)8-4-3-5-12-6-8/h4,7,12H,2-3,5-6H2,1H3.
What are the key properties of 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine?
5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 195.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 130506773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).