N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide

C16H20N4O — CID 38464494

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCc3ccccc32)cn1
InChIInChI=1S/C16H20N4O/c1-19-12-14(11-18-19)16(21)17-8-4-9-20-10-7-13-5-2-3-6-15(13)20/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,17,21)
InChIKeyZVZUUTMMBJJZMV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.60
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide (PubChem CID 38464494) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
PubChem CID38464494
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCN2CCc3ccccc32)cn1
InChIInChI=1S/C16H20N4O/c1-19-12-14(11-18-19)16(21)17-8-4-9-20-10-7-13-5-2-3-6-15(13)20/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,17,21)
InChIKeyZVZUUTMMBJJZMV-UHFFFAOYSA-N
XLogP1.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46773623
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[3-(2,3-dihydroindol-1-yl)propyl]-1H-indazole-3-carboxamide
CID 38464745
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide (CID 38464494) is N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCCN2CCc3ccccc32)cn1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZVZUUTMMBJJZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-12-14(11-18-19)16(21)17-8-4-9-20-10-7-13-5-2-3-6-15(13)20/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,17,21).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 38464494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).