N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C19H32N4O2 — CID 71865675

IUPACN-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCCOC3CCCCCC3)C2)cn1
InChIInChI=1S/C19H32N4O2/c1-22-14-17(13-21-22)12-16-8-10-23(15-16)19(24)20-9-11-25-18-6-4-2-3-5-7-18/h13-14,16,18H,2-12,15H2,1H3,(H,20,24)
InChIKeyVIJMVUBGSGKGGU-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.73
Rot. Bonds6

About N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865675) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865675
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCCOC3CCCCCC3)C2)cn1
InChIInChI=1S/C19H32N4O2/c1-22-14-17(13-21-22)12-16-8-10-23(15-16)19(24)20-9-11-25-18-6-4-2-3-5-7-18/h13-14,16,18H,2-12,15H2,1H3,(H,20,24)
InChIKeyVIJMVUBGSGKGGU-UHFFFAOYSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71865675) is N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is Cn1cc(CC2CCN(C(=O)NCCOC3CCCCCC3)C2)cn1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is VIJMVUBGSGKGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-22-14-17(13-21-22)12-16-8-10-23(15-16)19(24)20-9-11-25-18-6-4-2-3-5-7-18/h13-14,16,18H,2-12,15H2,1H3,(H,20,24).
What are the key properties of N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).