(7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline

C15H19N3 — CID 159103628

IUPAC(7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)CC[C@@H](CCCc1ccn[nH]1)C2
InChIInChI=1S/C15H19N3/c1(5-14-8-10-17-18-14)3-12-6-7-13-4-2-9-16-15(13)11-12/h2,4,8-10,12H,1,3,5-7,11H2,(H,17,18)/t12-/m1/s1
InChIKeyIUHLAXZTJQJNAY-GFCCVEGCSA-N
MW241.34 g/mol
LogP2.93
Rot. Bonds4

About (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline

(7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline (PubChem CID 159103628) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline
PubChem CID159103628
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)CC[C@@H](CCCc1ccn[nH]1)C2
InChIInChI=1S/C15H19N3/c1(5-14-8-10-17-18-14)3-12-6-7-13-4-2-9-16-15(13)11-12/h2,4,8-10,12H,1,3,5-7,11H2,(H,17,18)/t12-/m1/s1
InChIKeyIUHLAXZTJQJNAY-GFCCVEGCSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinoline
CID 138515872
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-8-ylmethylphosphane
CID 145086188
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
5,6,7,8-tetrahydroquinolin-7-amine;hydrochloride
CID 156621052
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine
CID 123242170
3-(2-methoxypyrimidin-5-yl)-3-[5-[3-[(7S)-5,6,7,8-tetrahydroquinolin-7-yl]propyl]pyrazol-1-yl]propanoic acid
CID 161294983
(3S)-3-(2-methoxypyrimidin-5-yl)-3-[3-[3-[(7R)-5,6,7,8-tetrahydroquinolin-7-yl]propyl]pyrazol-1-yl]propanoic acid
CID 147674477
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
CID 175090190
(Z)-2-N-iodo-1-(5,6,7,8-tetrahydroquinolin-7-yl)but-2-ene-2,3-diamine
CID 89261198
(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline
CID 69281697
5,6,7,8-tetrahydroquinolin-6-ylmethanol
CID 69108967
(5,6,7,8-tetrahydroquinolin-7-ylamino)methanol
CID 14835920

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline (CID 159103628) is (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline is c1cnc2c(c1)CC[C@@H](CCCc1ccn[nH]1)C2.
What is the InChIKey of (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline?
The InChIKey is IUHLAXZTJQJNAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3/c1(5-14-8-10-17-18-14)3-12-6-7-13-4-2-9-16-15(13)11-12/h2,4,8-10,12H,1,3,5-7,11H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline?
(7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159103628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).