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

C15H18ClN3 — CID 114662296

IUPAC2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCn1ncc(Cl)c1CC1CCc2ccccc2N1
InChIInChI=1S/C15H18ClN3/c1-2-19-15(13(16)10-17-19)9-12-8-7-11-5-3-4-6-14(11)18-12/h3-6,10,12,18H,2,7-9H2,1H3
InChIKeyKQWUVMIKOVXGCN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.53
Rot. Bonds3

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

2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114662296) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114662296
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCn1ncc(Cl)c1CC1CCc2ccccc2N1
InChIInChI=1S/C15H18ClN3/c1-2-19-15(13(16)10-17-19)9-12-8-7-11-5-3-4-6-14(11)18-12/h3-6,10,12,18H,2,7-9H2,1H3
InChIKeyKQWUVMIKOVXGCN-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 114662296) is 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCn1ncc(Cl)c1CC1CCc2ccccc2N1.
What is the InChIKey of 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is KQWUVMIKOVXGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-19-15(13(16)10-17-19)9-12-8-7-11-5-3-4-6-14(11)18-12/h3-6,10,12,18H,2,7-9H2,1H3.
What are the key properties of 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 275.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114662296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).