1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide

C17H21N5O2 — CID 166331350

IUPAC1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CC2CCc3ccccc3N2)c(C(N)=O)n1
InChIInChI=1S/C17H21N5O2/c1-2-22-10-14(16(21-22)17(18)24)20-15(23)9-12-8-7-11-5-3-4-6-13(11)19-12/h3-6,10,12,19H,2,7-9H2,1H3,(H2,18,24)(H,20,23)
InChIKeyBCNZYSKNDCMJRJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.76
Rot. Bonds5

About 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide

1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide (PubChem CID 166331350) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide
PubChem CID166331350
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CC2CCc3ccccc3N2)c(C(N)=O)n1
InChIInChI=1S/C17H21N5O2/c1-2-22-10-14(16(21-22)17(18)24)20-15(23)9-12-8-7-11-5-3-4-6-13(11)19-12/h3-6,10,12,19H,2,7-9H2,1H3,(H2,18,24)(H,20,23)
InChIKeyBCNZYSKNDCMJRJ-UHFFFAOYSA-N
XLogP1.76
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide (CID 166331350) is 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)CC2CCc3ccccc3N2)c(C(N)=O)n1.
What is the InChIKey of 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide?
The InChIKey is BCNZYSKNDCMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-22-10-14(16(21-22)17(18)24)20-15(23)9-12-8-7-11-5-3-4-6-13(11)19-12/h3-6,10,12,19H,2,7-9H2,1H3,(H2,18,24)(H,20,23).
What are the key properties of 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide?
1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(1,2,3,4-tetrahydroquinolin-2-yl)acetyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 166331350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).