7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

C13H14FN3 — CID 105489446

IUPAC7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1nccc1C1CCNc2cc(F)ccc21
InChIInChI=1S/C13H14FN3/c1-17-13(5-7-16-17)11-4-6-15-12-8-9(14)2-3-10(11)12/h2-3,5,7-8,11,15H,4,6H2,1H3
InChIKeyVLWOEMPWRISMBE-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.51
Rot. Bonds1

About 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline

7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 105489446) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID105489446
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1nccc1C1CCNc2cc(F)ccc21
InChIInChI=1S/C13H14FN3/c1-17-13(5-7-16-17)11-4-6-15-12-8-9(14)2-3-10(11)12/h2-3,5,7-8,11,15H,4,6H2,1H3
InChIKeyVLWOEMPWRISMBE-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106779086
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718205
methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 83754277
4,6-difluoro-1,2,3,4-tetrahydroquinoline
CID 83853904
3-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412310
7-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
CID 11961604
4-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 121484577
6-fluoro-3-piperidin-4-yl-2,3-dihydro-1H-indole
CID 105475984
5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole
CID 114554261
6-fluoro-N-methyl-2,3-dihydro-1H-indol-3-amine
CID 84739527

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 105489446) is 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is Cn1nccc1C1CCNc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VLWOEMPWRISMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17-13(5-7-16-17)11-4-6-15-12-8-9(14)2-3-10(11)12/h2-3,5,7-8,11,15H,4,6H2,1H3.
What are the key properties of 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline?
7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 231.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105489446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).