3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

C18H23N3 — CID 106779859

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(Cc1ccn(C3CCCC3)n1)CN2
InChIInChI=1S/C18H23N3/c1-4-8-18-15(5-1)11-14(13-19-18)12-16-9-10-21(20-16)17-6-2-3-7-17/h1,4-5,8-10,14,17,19H,2-3,6-7,11-13H2
InChIKeyZZRJZICJYVFMPH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds3

About 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106779859) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106779859
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(Cc1ccn(C3CCCC3)n1)CN2
InChIInChI=1S/C18H23N3/c1-4-8-18-15(5-1)11-14(13-19-18)12-16-9-10-21(20-16)17-6-2-3-7-17/h1,4-5,8-10,14,17,19H,2-3,6-7,11-13H2
InChIKeyZZRJZICJYVFMPH-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
1-cyclohexyl-3-ethylpyrazole
CID 66014335
potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide
CID 64779762
5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779847
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 57137964
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681665
3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778280
3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole
CID 66290739
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
5-[(1-cyclopentylpyrazol-3-yl)methylamino]piperidin-2-one
CID 64798975

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106779859) is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(Cc1ccn(C3CCCC3)n1)CN2.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZZRJZICJYVFMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-8-18-15(5-1)11-14(13-19-18)12-16-9-10-21(20-16)17-6-2-3-7-17/h1,4-5,8-10,14,17,19H,2-3,6-7,11-13H2.
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 281.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).