N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

C19H29N3O — CID 75468983

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc(C)n(CC(C)CNC2CC(C)(C)Cc3occc32)n1
InChIInChI=1S/C19H29N3O/c1-13(12-22-15(3)8-14(2)21-22)11-20-17-9-19(4,5)10-18-16(17)6-7-23-18/h6-8,13,17,20H,9-12H2,1-5H3
InChIKeyZJNQTUBSEBZFSC-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.03
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 75468983) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID75468983
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc(C)n(CC(C)CNC2CC(C)(C)Cc3occc32)n1
InChIInChI=1S/C19H29N3O/c1-13(12-22-15(3)8-14(2)21-22)11-20-17-9-19(4,5)10-18-16(17)6-7-23-18/h6-8,13,17,20H,9-12H2,1-5H3
InChIKeyZJNQTUBSEBZFSC-UHFFFAOYSA-N
XLogP4.03
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine 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 N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (CID 75468983) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc(C)n(CC(C)CNC2CC(C)(C)Cc3occc32)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is ZJNQTUBSEBZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-13(12-22-15(3)8-14(2)21-22)11-20-17-9-19(4,5)10-18-16(17)6-7-23-18/h6-8,13,17,20H,9-12H2,1-5H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 315.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 75468983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).