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

C16H20ClN3 — CID 114662301

IUPAC2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCn1ncc(Cl)c1CC1CCc2ccccc2N1
InChIInChI=1S/C16H20ClN3/c1-2-9-20-16(14(17)11-18-20)10-13-8-7-12-5-3-4-6-15(12)19-13/h3-6,11,13,19H,2,7-10H2,1H3
InChIKeyDMLPZARMBCHLMX-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.92
Rot. Bonds4

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

2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114662301) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114662301
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCn1ncc(Cl)c1CC1CCc2ccccc2N1
InChIInChI=1S/C16H20ClN3/c1-2-9-20-16(14(17)11-18-20)10-13-8-7-12-5-3-4-6-15(12)19-13/h3-6,11,13,19H,2,7-10H2,1H3
InChIKeyDMLPZARMBCHLMX-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662296
2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 114662297
2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955897
2-[2-(1-propylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 79761911
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640840
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114663397
2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114663413
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-[2-(3-methylimidazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 66117014
(4-chloro-1-propylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 114651447
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 114662301) is 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCCn1ncc(Cl)c1CC1CCc2ccccc2N1.
What is the InChIKey of 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is DMLPZARMBCHLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-9-20-16(14(17)11-18-20)10-13-8-7-12-5-3-4-6-15(12)19-13/h3-6,11,13,19H,2,7-10H2,1H3.
What are the key properties of 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline?
2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 289.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114662301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).