N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C16H19N3O2 — CID 56748118

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1cnn(CCCNC(=O)c2cccc3c2OCC3)c1
InChIInChI=1S/C16H19N3O2/c1-12-10-18-19(11-12)8-3-7-17-16(20)14-5-2-4-13-6-9-21-15(13)14/h2,4-5,10-11H,3,6-9H2,1H3,(H,17,20)
InChIKeySKPXDOBCCVVBIB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.95
Rot. Bonds5

About N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 56748118) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID56748118
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1cnn(CCCNC(=O)c2cccc3c2OCC3)c1
InChIInChI=1S/C16H19N3O2/c1-12-10-18-19(11-12)8-3-7-17-16(20)14-5-2-4-13-6-9-21-15(13)14/h2,4-5,10-11H,3,6-9H2,1H3,(H,17,20)
InChIKeySKPXDOBCCVVBIB-UHFFFAOYSA-N
XLogP1.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(1-Methylpyrazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
CID 132041675
(3S)-7-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119708
(3S)-7-N-methyl-5-N-(1-methylpyrazol-4-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119729
3-(2-methylpyrazol-3-yl)-N-(oxan-4-ylmethyl)-1-benzofuran-7-carboxamide
CID 49789628
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1224532
US10343992, Example 110
CID 122590711
US10343992, Example 2
CID 122590765
2-(Aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride
CID 126484806
US11427558, Example 164
CID 165436864
N-[(2-Ethoxyphenyl)methyl]-3-(1H-pyrazol-1-YL)propanamide
CID 16026464
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-2-methoxybenzamide
CID 2225516
3-methyl-4-oxo-2-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]chromene-8-carboxamide
CID 25669686

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 56748118) is N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide is Cc1cnn(CCCNC(=O)c2cccc3c2OCC3)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is SKPXDOBCCVVBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-10-18-19(11-12)8-3-7-17-16(20)14-5-2-4-13-6-9-21-15(13)14/h2,4-5,10-11H,3,6-9H2,1H3,(H,17,20).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 56748118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).