2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H19N5 — CID 62903567

IUPAC2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)n1cc(Nc2nc3c(cc2C#N)CCCC3)cn1
InChIInChI=1S/C16H19N5/c1-11(2)21-10-14(9-18-21)19-16-13(8-17)7-12-5-3-4-6-15(12)20-16/h7,9-11H,3-6H2,1-2H3,(H,19,20)
InChIKeyGCCCGIQFNOEKCG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds3

About 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 62903567) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID62903567
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(C)n1cc(Nc2nc3c(cc2C#N)CCCC3)cn1
InChIInChI=1S/C16H19N5/c1-11(2)21-10-14(9-18-21)19-16-13(8-17)7-12-5-3-4-6-15(12)20-16/h7,9-11H,3-6H2,1-2H3,(H,19,20)
InChIKeyGCCCGIQFNOEKCG-UHFFFAOYSA-N
XLogP3.35
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile 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 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 62903567) is 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC(C)n1cc(Nc2nc3c(cc2C#N)CCCC3)cn1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GCCCGIQFNOEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(2)21-10-14(9-18-21)19-16-13(8-17)7-12-5-3-4-6-15(12)20-16/h7,9-11H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-4-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 62903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).