4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide

C16H19ClN4O — CID 138035150

IUPAC4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(Cl)cnn1C)C1CCCc2cccnc21
InChIInChI=1S/C16H19ClN4O/c1-3-21(16(22)15-12(17)10-19-20(15)2)13-8-4-6-11-7-5-9-18-14(11)13/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyFAMMRJIIGRFFPQ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.01
Rot. Bonds3

About 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide

4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide (PubChem CID 138035150) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
PubChem CID138035150
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(Cl)cnn1C)C1CCCc2cccnc21
InChIInChI=1S/C16H19ClN4O/c1-3-21(16(22)15-12(17)10-19-20(15)2)13-8-4-6-11-7-5-9-18-14(11)13/h5,7,9-10,13H,3-4,6,8H2,1-2H3
InChIKeyFAMMRJIIGRFFPQ-UHFFFAOYSA-N
XLogP3.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
CID 126807154
1-methyl-5-(5,6,7,8-tetrahydroquinolin-8-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 154846844
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide
CID 127912645
4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
CID 100652315
N-(2-methoxyethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ynamide
CID 146083735
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 97258354
N-(5,6,7,8-tetrahydroquinolin-8-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 122138613
N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
CID 99790377
N-ethyl-1-methyl-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-4-carboxamide
CID 143191526
(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124721725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide (CID 138035150) is 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide is CCN(C(=O)c1c(Cl)cnn1C)C1CCCc2cccnc21.
What is the InChIKey of 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide?
The InChIKey is FAMMRJIIGRFFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-21(16(22)15-12(17)10-19-20(15)2)13-8-4-6-11-7-5-9-18-14(11)13/h5,7,9-10,13H,3-4,6,8H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide?
4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 138035150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).