5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

C18H23N3 — CID 106779847

IUPAC5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc(Cc2ccn(C3CCCC3)n2)c2c(c1)NCCC2
InChIInChI=1S/C18H23N3/c1-2-7-16(6-1)21-12-10-15(20-21)13-14-5-3-9-18-17(14)8-4-11-19-18/h3,5,9-10,12,16,19H,1-2,4,6-8,11,13H2
InChIKeySSGPJUTTXBVTNV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.95
Rot. Bonds3

About 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106779847) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106779847
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESc1cc(Cc2ccn(C3CCCC3)n2)c2c(c1)NCCC2
InChIInChI=1S/C18H23N3/c1-2-7-16(6-1)21-12-10-15(20-21)13-14-5-3-9-18-17(14)8-4-11-19-18/h3,5,9-10,12,16,19H,1-2,4,6-8,11,13H2
InChIKeySSGPJUTTXBVTNV-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779859
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one
CID 65171984
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106779847) is 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is c1cc(Cc2ccn(C3CCCC3)n2)c2c(c1)NCCC2.
What is the InChIKey of 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is SSGPJUTTXBVTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-7-16(6-1)21-12-10-15(20-21)13-14-5-3-9-18-17(14)8-4-11-19-18/h3,5,9-10,12,16,19H,1-2,4,6-8,11,13H2.
What are the key properties of 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 281.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106779847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).