N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide

C18H23N3O2 — CID 72900777

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cc2c(cc1OC)CCC2)n1cccn1
InChIInChI=1S/C18H23N3O2/c1-3-16(21-9-5-8-20-21)18(22)19-12-15-10-13-6-4-7-14(13)11-17(15)23-2/h5,8-11,16H,3-4,6-7,12H2,1-2H3,(H,19,22)
InChIKeyOKFJOZNTHLSKPX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.65
Rot. Bonds6

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 72900777) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID72900777
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCc1cc2c(cc1OC)CCC2)n1cccn1
InChIInChI=1S/C18H23N3O2/c1-3-16(21-9-5-8-20-21)18(22)19-12-15-10-13-6-4-7-14(13)11-17(15)23-2/h5,8-11,16H,3-4,6-7,12H2,1-2H3,(H,19,22)
InChIKeyOKFJOZNTHLSKPX-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide 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-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 72900777) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCc1cc2c(cc1OC)CCC2)n1cccn1.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is OKFJOZNTHLSKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-16(21-9-5-8-20-21)18(22)19-12-15-10-13-6-4-7-14(13)11-17(15)23-2/h5,8-11,16H,3-4,6-7,12H2,1-2H3,(H,19,22).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 72900777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).