3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline

C12H13N3 — CID 54595801

IUPAC3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(n1cccn1)CN2
InChIInChI=1S/C12H13N3/c1-2-5-12-10(4-1)8-11(9-13-12)15-7-3-6-14-15/h1-7,11,13H,8-9H2
InChIKeyCATQCGCHENXPMP-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.09
Rot. Bonds1

About 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline

3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 54595801) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline
PubChem CID54595801
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(n1cccn1)CN2
InChIInChI=1S/C12H13N3/c1-2-5-12-10(4-1)8-11(9-13-12)15-7-3-6-14-15/h1-7,11,13H,8-9H2
InChIKeyCATQCGCHENXPMP-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline (CID 54595801) is 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(n1cccn1)CN2.
What is the InChIKey of 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CATQCGCHENXPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-5-12-10(4-1)8-11(9-13-12)15-7-3-6-14-15/h1-7,11,13H,8-9H2.
What are the key properties of 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline?
3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 199.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 54595801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).