6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C20H18N4OS — CID 3506003

IUPAC6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(-c2ccccc2)c2c1C(c1cccs1)C(C#N)=C(N)O2
InChIInChI=1S/C20H18N4OS/c1-2-7-15-18-17(16-10-6-11-26-16)14(12-21)19(22)25-20(18)24(23-15)13-8-4-3-5-9-13/h3-6,8-11,17H,2,7,22H2,1H3
InChIKeyCWQXBFKCDZQJAO-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.10
Rot. Bonds4

About 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 3506003) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID3506003
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(-c2ccccc2)c2c1C(c1cccs1)C(C#N)=C(N)O2
InChIInChI=1S/C20H18N4OS/c1-2-7-15-18-17(16-10-6-11-26-16)14(12-21)19(22)25-20(18)24(23-15)13-8-4-3-5-9-13/h3-6,8-11,17H,2,7,22H2,1H3
InChIKeyCWQXBFKCDZQJAO-UHFFFAOYSA-N
XLogP4.10
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

Analyze 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-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 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 3506003) is 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is CCCc1nn(-c2ccccc2)c2c1C(c1cccs1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is CWQXBFKCDZQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-2-7-15-18-17(16-10-6-11-26-16)14(12-21)19(22)25-20(18)24(23-15)13-8-4-3-5-9-13/h3-6,8-11,17H,2,7,22H2,1H3.
What are the key properties of 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 362.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-phenyl-3-propyl-4-thiophen-2-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 3506003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).