5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

C18H17N3 — CID 81230355

IUPAC5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(-c2cnn(-c3cccc4c3CCCN4)c2)cc1
InChIInChI=1S/C18H17N3/c1-2-6-14(7-3-1)15-12-20-21(13-15)18-10-4-9-17-16(18)8-5-11-19-17/h1-4,6-7,9-10,12-13,19H,5,8,11H2
InChIKeyZSMWHWXKYBNXMS-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.90
Rot. Bonds2

About 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81230355) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81230355
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(-c2cnn(-c3cccc4c3CCCN4)c2)cc1
InChIInChI=1S/C18H17N3/c1-2-6-14(7-3-1)15-12-20-21(13-15)18-10-4-9-17-16(18)8-5-11-19-17/h1-4,6-7,9-10,12-13,19H,5,8,11H2
InChIKeyZSMWHWXKYBNXMS-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81230355) is 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is c1ccc(-c2cnn(-c3cccc4c3CCCN4)c2)cc1.
What is the InChIKey of 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZSMWHWXKYBNXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-6-14(7-3-1)15-12-20-21(13-15)18-10-4-9-17-16(18)8-5-11-19-17/h1-4,6-7,9-10,12-13,19H,5,8,11H2.
What are the key properties of 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 275.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81230355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).